1H-Azepine-1-carbothioicacid, hexahydro-, S-ethyl ester

物化性质

外观与性状：

透明液体带有芳香气味

密度：

1.06

沸点：

202°C (10 mmHg)

闪点：

100 °C

水溶解性：

0.08 g/100 mL

折射率：

1.5092 (25ºC)

蒸汽压：

0.00412mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,与食品原料分开储运

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：黄褐色透明油状液体

2. 密度（g/mL,20ºC）：1.06

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：未确定

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,10mmHg）：202

7. 折射率（nD20）：1.5124

8. 闪点（ºC）：100

9. 比旋光度（）： 未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（Pa,25ºC）：7.466×10^-1Pa

12. 饱和蒸气压（kPa,20ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：丙酮、甲醇、异丙醇、苯、二甲苯，水中溶解度0.8g/L (20℃)。

安全信息

外观与性状：

透明液体带有芳香气味

密度：

1.06

沸点：

202°C (10 mmHg)

闪点：

100 °C

水溶解性：

0.08 g/100 mL

折射率：

1.5092 (25ºC)

蒸汽压：

0.00412mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,与食品原料分开储运

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：黄褐色透明油状液体

2. 密度（g/mL,20ºC）：1.06

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：未确定

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,10mmHg）：202

7. 折射率（nD20）：1.5124

8. 闪点（ºC）：100

9. 比旋光度（）： 未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（Pa,25ºC）：7.466×10^-1Pa

12. 饱和蒸气压（kPa,20ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：丙酮、甲醇、异丙醇、苯、二甲苯，水中溶解度0.8g/L (20℃)。

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

CM2625000

CHEMICAL NAME :

1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester

CAS REGISTRY NUMBER :

2212-67-1

BEILSTEIN REFERENCE NO. :

1239196

LAST UPDATED :

199701

DATA ITEMS CITED :

22

MOLECULAR FORMULA :

C9-H17-N-O-S

MOLECULAR WEIGHT :

187.33

WISWESSER LINE NOTATION :

T7NTJ AVS2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

369 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2100 mg/m3/1H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1167 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

657 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

530 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - changes in extra-ocular muscles Behavioral - somnolence (general depressed activity)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

545 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

>200 mg/m3

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3536 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

720 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3952 mg/kg/43W-I

TOXIC EFFECTS :

Endocrine - other changes Blood - normocytic anemia Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7818 mg/kg/17W-I

TOXIC EFFECTS :

Nutritional and Gross Metabolic - body temperature decrease Related to Chronic Data - death

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

113 mg/m3/30D-I

TOXIC EFFECTS :

Liver - liver function tests impaired Kidney, Ureter, Bladder - other changes in urine composition Blood - other changes

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4500 ug/m3/17W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

4500 ug/m3/17W-I

TOXIC EFFECTS :

Liver - liver function tests impaired Blood - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

324 mg/kg

SEX/DURATION :

male 90 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1620 mg/kg

SEX/DURATION :

male 90 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

640 ug/m3/6H

SEX/DURATION :

male 20 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

600 ug/m3/6H

SEX/DURATION :

male 20 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

350 mg/kg

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 242,279,1990 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

毒理学数据：

雄性大鼠急性经口LD₅₀为501 - 720mg/kg原药为468 - 705mg}g)，小鼠急性经口LD₅₀为795mg /kg;大鼠急性经皮口LD₅₀> 1200mg /kg >家兔急性经皮LD₅₀> 4600mg /kg;大鼠和火分别以每天8mg /kg和30mg /kg词喂3个月，未见中毒症状。大鼠2年词喂试验无作用剂量为每天0.63mg /kg，小鼠为每天7.2mg/kg。对鱼类有毒，金鱼LC₅₀ 为30mg/I_ (96h),虹蝉鱼LC₅₀为0.2mg/L (96h)。对鸟类、天敌、蜜蜂无害。对眼睛和皮肤有刺激作用。

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Molinate
CAS-No.: 2212-67-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances


Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Carcinogenicity (Category 2)
Reproductive toxicity (Category 2)
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Oral (Category 4)
Specific target organ toxicity - repeated exposure (Category 2)
Skin sensitization (Category 1)
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Limited evidence of a carcinogenic effect. Possible risk of impaired fertility. Harmful by inhalation and if
swallowed. Harmful: danger of serious damage to health by prolonged exposure if swallowed. May cause
sensitization by skin contact. Very toxic to aquatic organisms, may cause long-term adverse effects in the
aquatic environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordWarning
Hazard statement(s)
H302Harmful if swallowed.
H317May cause an allergic skin reaction.
H332Harmful if inhaled.
H351Suspected of causing cancer.
H361fSuspected of damaging fertility.
H373May cause damage to organs through prolonged or repeated exposure.
H410Very toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P273Avoid release to the environment.
P280Wear protective gloves.
P501Dispose of contents/ container to an approved waste disposal plant.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R20/22Harmful by inhalation and if swallowed.
R40Limited evidence of a carcinogenic effect.
R43May cause sensitization by skin contact.
R48/22Harmful: danger of serious damage to health by prolonged exposure if
swallowed.
R62Possible risk of impaired fertility.
R50/53Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S36/37Wear suitable protective clothing and gloves.
S46If swallowed, seek medical advice immediately and show this container or
label.
S60This material and its container must be disposed of as hazardous waste.
S61Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C9H17NOS
Molecular Weight: 187,3 g/mol
ComponentConcentration
Molinate
CAS-No.2212-67-1-
EC-No.218-661-0
Index-No.613-051-00-4
Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Diarrhoea, Weakness, Discomfort of the:, Stomach, Conjunctivitis.
Indication of any immediate medical attention and special treatment needed
no data available
Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available
Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.
Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available
Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: liquid
Colour: clear
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 355 °C at 1.013 hPa
boiling range
g) Flash point100 °C - closed cup
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density1,060 g/cm3
n) Water solubilityno data available
o) Partition coefficient: n-no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available
Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 369 mg/kg
LD50 Dermal - rabbit - 3.536 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
May cause allergic skin reaction.
Germ cell mutagenicity
Genotoxicity in vitro - Human - lymphocyte
Cytogenetic analysis
Genotoxicity in vivo - mouse - Oral
Micronucleus test
Carcinogenicity
Limited evidence of carcinogenicity in animal studies
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Suspected human reproductive toxicant
Reproductive toxicity - rat - Inhalation
Paternal Effects: Spermatogenesis (including genetic material, sperm morphology,motility, and count).
Reproductive toxicity - rat - Oral
Paternal Effects: Spermatogenesis (including genetic material, sperm morphology,motility, and count).
Effects on Fertility: Male fertility index (e.g., # males impregnating females per # males exposed to fertile
nonpregnant females). Effects on Newborn: Viability index (e.g., # alive at day 4 per # born alive).
Reproductive toxicity - rat - Oral
Effects on Fertility: Male fertility index (e.g., # males impregnating females per # males exposed to fertile
nonpregnant females). Effects on Fertility: Post-implantation mortality (e.g., dead and/or resorbed implants
per total number of implants).
Developmental Toxicity - mouse - Intraperitoneal
Specific Developmental Abnormalities: Urogenital system.
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationHarmful if inhaled. May cause respiratory tract irritation.
IngestionHarmful if swallowed.
Skin
May be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Signs and Symptoms of Exposure
Diarrhoea, Weakness, Discomfort of the:, Stomach, Conjunctivitis.
Additional Information
RTECS: CM2625000
Section12. ECOLOGICAL INFORMATION
Toxicity
Toxicity to fishLC50 - Cyprinodon variegatus (sheepshead minnow) - 12 - 17 mg/l - 96,0 h
Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 3,2 - 32,0 mg/l - 48 h
other aquatic
invertebrates
Toxicity to algaeEC50 - Chlorella vulgaris (Fresh water algae) - 17,6 - 39,0 mg/l - 96 h
Persistence and degradability
Bioaccumulative potential
BioaccumulationIctalurus punctatus - 13 d -1,33 µg/l
Bioconcentration factor (BCF): 25 - 31
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.
Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.
Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 3082IMDG: 3082IATA: 3082
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Molinate)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Molinate)
IATA:Environmentally hazardous substance, liquid, n.o.s. (Molinate)
Transport hazard class(es)
ADR/RID: 9IMDG: 9IATA: 9
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: yesIMDG Marine pollutant: yesIATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.
SECTION 15 - REGULATORY INFORMATION
N/A
SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2933990017

概述：

2933990017 唑草酯,四环唑,恶草酸等〔包括喹禾糠酯,哒草特,咯草隆,禾草敌,唑草胺,敌草快,氯草敏〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

监管条件：

S.进出口农药登记证明

摘要/Summary：

2933990017 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：53.07

2、 摩尔体积（cm³/mol）：176.9

3、 等张比容（90.2K）：444.8

4、 表面张力（dyne/cm）：39.9

5、 极化率（10^-24cm³）：21.03

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积45.6

7.重原子数量:12

8.表面电荷:0

9.复杂度:142

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1