cis-1,3-Dichloropropene

物化性质

外观与性状：

无色

密度：

1.225

沸点：

104ºC

闪点：

24ºC

折射率：

1.4675

蒸汽压：

30.4mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,轻装轻卸、与氧化剂和酸类分开存放

其它信息：

1. 性状：未确定。

2. 密度（g/mL,20℃）：1.225

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）：104

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：1.4675

8. 闪点（ºC）：24

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,20ºC）：未确定

12. 饱和蒸气压（kPa,60ºC）：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：未确定。

安全信息

外观与性状：

无色

密度：

1.225

沸点：

104ºC

闪点：

24ºC

折射率：

1.4675

蒸汽压：

30.4mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,轻装轻卸、与氧化剂和酸类分开存放

其它信息：

1. 性状：未确定。

2. 密度（g/mL,20℃）：1.225

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）：104

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：1.4675

8. 闪点（ºC）：24

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,20ºC）：未确定

12. 饱和蒸气压（kPa,60ºC）：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：未确定。

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UC8325000

CHEMICAL NAME :

Propene, 1,3-dichloro-, (Z)-

CAS REGISTRY NUMBER :

10061-01-5

BEILSTEIN REFERENCE NO. :

1719557

LAST UPDATED :

199710

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C3-H4-Cl2

MOLECULAR WEIGHT :

110.97

WISWESSER LINE NOTATION :

G2U1G -C

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

9240 mg/kg/77W-I

TOXIC EFFECTS :

Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :

Unscheduled DNA synthesis

TEST SYSTEM :

Human HeLa cell

DOSE/DURATION :

100 umol/L

REFERENCE :

CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 20,263,1983 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-GERMANY;Carcinogen JAN 1993 OEL-SWITZERLAND:TWA 1 ppm (5 mg/m3);Skin;Carcinogen JAN 1993

毒理学数据：

1、急性毒性：小鼠皮下TDLo：9240 mg/kg；

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

MSDS

Section I.Chemical Product and Company Identification
Chemical Namecis-1,3-Dichloropropene
(1mg/ml in Methanol) [for Water Analysis]
Portland OR
Not available.
Synonym
Chemical FormulaC3H4Cl2
CAS Number10061-01-5
67-56-1 (Methanol)
Section II.Composition and Information on Ingredients
CAS Number Percent (%)TLV/PELToxicology Data
Chemical Name
cis-1,3-DichloropropeneCa. 0.13%This chemical is classified as a (Methanol)
10061-01-5
(1mg/ml in Methanol) [for Water Analysis]possible carcinogen. There is Rat LD50 (oral) 5600 mg/kg
67-56-1 (Methanol)Ca. 99.87% (Methanol)
no acceptable exposure limit for Rabbit LD50 (dermal) 15800 mg/kg
a carcinogen.Rat LD50 (inhalation) 64000 ppm/4H
Section III. Hazards Identification
Acute Health EffectsToxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Neoplastic by RTECS criteria
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Tumorigenic Effects:
Mouse TDLo (Subcutaneous) 9240 mg/kg/77 weeks intermittent
Toxic Effects:
Tumorigenic- Neoplastic by RTECS criteria
Tumorigenic- Tumors at site of application.
DEVELOPMENTAL TOXICITY: Reproductive Effects:
Rat TCLo (Inhalation) 20000 pm/7 hours. Female 1-22 days of pregnancy.
Toxic Effects:
Specific Developmental Abnormalities- Musculoskeletal system
Specific Developmental Abnormalities- Cardiovascular (circulatory) system
Specific Developmental Abnormalities- Urogenital system
Rat TDLo (Oral) 35295 mg/kg. Female 1-15 days of pregnancy
Toxic Effects:
Effects on Fertility- Female fertility index
Effects on Fertility- Pre-implantation mortality
Effects on Fertility- Post-implantation mortality
Mouse TDLo (Oral) 4gm/kg. Female 7 days of pregnancy
Toxic Effects:
Specific Developmental Abnormalities- Craniofacial (including nose and tongue)
Specific Developmental Abnormalities- Musculoskeletal system
Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
many human organs.
Section IV.First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
Eye Contact
minutes. Get medical attention.
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing
Skin Contact
and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Continued on Next Page
cis-1,3-Dichloropropene
(1mg/ml in Methanol) [for Water Analysis]
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.
Section V.Fire and Explosion Data
464°C (867.2°F) (Methanol)
Flammable.Auto-Ignition
Flammability
Flash PointsFlammable LimitsLOWER: 5.5% UPPER: 44% (Methanol)
23.9°C (75°F).
12°C (53.6°F). (Methanol)
Combustion ProductsThese products are toxic carbon oxides (CO, CO2), halogenated compounds
WARNING: Highly toxic HCl gas is produced during combustion.
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
Flammable liquid.
SMALL FIRE: Use DRY chemical powder.
and Instructions
LARGE FIRE: Use alcohol foam, water spray or fog. Cool containing vessels with water jet in order to prevent pressure
build-up, autoignition or explosion. Consult with local fire authorities before attempting large scale fire-fighting operations.
Section VI.Accidental Release Measures
Spill CleanupFlammable material. Toxic material. Environmentally hazardous material. Irritating material. Heat sensitive material.
Hygroscopic material.
Instructions
Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other
non-combustible material. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Consult federal, state, and/or local
authorities for assistance on disposal.
Section VII. Handling and Storage
Handling and StorageFLAMMABLE. TOXIC. ENVIRONMENTAL HAZARD. IRRITANT. HEAT SENSITIVE. HYGROSCOPIC. FREEZE. Keep
locked up.. Keep away from heat. Mechanical exhaust required. Avoid excessive heat and light. DO NOT ingest. Do not
Information
breathe gas/fumes/ vapor/spray. Wear suitable protective clothing. If ingested, seek medical advice immediately and show
the container or the label. Treat symptomatically and supportively.
Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
product.
Exposure LimitsThis chemical is classified as a possible carcinogen. There is no acceptable exposure limit for a carcinogen.
Section IX. Physical and Chemical Properties
Liquid. (Clear. Colorless, amber.)Solubility
Physical state @ 20°CSoluble in ether, benzene, chloroform,
water.
1.224 (water=1)Miscible with hydrocarbons, halgenated
Specific Gravity
0.79 (Methanol)solvents, esters, and ketones.
Molecular Weight110.97Partition CoefficientThe product is more soluble in oil;
32.04 (Methanol)log(oil/water) = 2.1
Boiling Point104.3°C (219.7°F)Vapor Pressure3.5 kPa (@ 20°C)
64°C (147.2°F) (Methanol)97.68 mmHg (@ 20°C) (Methanol)
Melting Point-98°C (-144.4°F) (Methanol)Vapor Density1.4 (Air = 1)
1.1 (Air = 1) (Methanol)
Not available.Not available.
Refractive IndexVolatility
Critical TemperatureNot available.OdorChloroform like, sharp, sweet, penetrating,
irritating odor.
Not available.Not available.
ViscosityTaste
Continued on Next Page
cis-1,3-Dichloropropene
(1mg/ml in Methanol) [for Water Analysis]
Section X.Stability and Reactivity Data
This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of InstabilityAvoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents, reducing agents, acids, acid chlorieds, acid anhydrides, and alkali metals.
Section XI. Toxicological Information
UC8325000
RTECS Number
Routes of ExposureEye Contact. Ingestion. Inhalation.
(Methanol)
Toxicity Data
Rat LD50 (oral) 5600 mg/kg
Rabbit LD50 (dermal) 15800 mg/kg
Rat LD50 (inhalation) 64000 ppm/4H
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Neoplastic by RTECS criteria
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Tumorigenic Effects:
Mouse TDLo (Subcutaneous) 9240 mg/kg/77 weeks intermittent
Toxic Effects:
Tumorigenic- Neoplastic by RTECS criteria
Tumorigenic- Tumors at site of application.
DEVELOPMENTAL TOXICITY: Reproductive Effects:
Rat TCLo (Inhalation) 20000 pm/7 hours. Female 1-22 days of pregnancy.
Toxic Effects:
Specific Developmental Abnormalities- Musculoskeletal system
Specific Developmental Abnormalities- Cardiovascular (circulatory) system
Specific Developmental Abnormalities- Urogenital system
Rat TDLo (Oral) 35295 mg/kg. Female 1-15 days of pregnancy
Toxic Effects:
Effects on Fertility- Female fertility index
Effects on Fertility- Pre-implantation mortality
Effects on Fertility- Post-implantation mortality
Mouse TDLo (Oral) 4gm/kg. Female 7 days of pregnancy
Toxic Effects:
Specific Developmental Abnormalities- Craniofacial (including nose and tongue)
Specific Developmental Abnormalities- Musculoskeletal system
Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
human organs.
Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
Acute Toxic Effects
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye
is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Section XII.Ecological Information
Not available.
Ecotoxicity
Environmental Fatecis-1,3-Dichloropropene's production and use as a soil fumigant and nematicide is expected to result in its direct release to
the environment. If released to air, a vapor pressure of 26 mm Hg at 20 deg C indicates cis-1,3-dichloropropene will exist
solely as a vapor in the ambient atmosphere. Vapor-phase cis-1,3-dichloropropene will be degraded in the atmosphere by
reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 46 hrs. If
released to soil, cis-1,3-dichloropropene is expected to have very high mobility based upon a range of Kocs from 20 to 42.
Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry's Law constant of
2.7X10-3 atm-cu m/mole. cis-1,3-Dichloropropene may volatilize from dry soil surfaces based upon its vapor pressure.
cis-1,3-Dichloropropene is expected to biodegrade in soil and water under aerobic and anaerobic conditions. Under aerobic
conditions, the half-life for 1,3-dichloropropene was 12 days in a loam soil. Under anaerobic conditions at 25 deg C, in both a
silty clay loam and sandy loam soil, the half-life was 2.4 days. If released into water, cis-1,3-dichloropropene is not expected
to adsorb to suspended solids and sediment based upon the Kocs. Volatilization from water surfaces is expected to be an
important fate process based upon this compound's Henry's Law constant. Estimated volatilization half-lives for a model river
and model lake are 1.3 and 102 hrs, respectively. An estimated BCF of 8 suggests the potential for bioconcentration in
aquatic organisms is low. cis-1,3-Dichloropropene degrades by chemical hydrolysis; at pH values of 5, 7, 9, the half-life of
1,3-dichloropropene was 13.5 days at 20 deg C. Occupational exposure to cis-1,3-dichloropropene may occur through
inhalation and dermal contact with this compound at workplaces where cis-1,3-dichloropropene is produced or used.
Occupational exposure may also occur for agricultural workers using this compound as a soil fumigant and nematicide. The
general population may be exposed to cis-1,3-dichloropropene via inhalation of ambient air and drinking water in areas where
cis-1,3-dichloropropene is used a soil fumigant and nematicide.
(Methanol)
Methanol's production and use as a solvent, fuel additive, and in the production of formaldehyde, acetic acid, and methyl
tertiary butyl ether (MTBE) may result in its release to the environment through various waste streams. Methanol has been
identified as a natural emission product from various plants and as a biological decomposition product of biological wastes
and sewage. If released to the atmosphere, a vapor pressure of 127 mm Hg at 25 deg C indicates that methanol will exist
solely in the vapor phase. Vapor phase methanol is degraded in the atmosphere by reaction with photochemically-produced
hydroxyl radicals; the half-life for this reaction in air is estimated to be 17 days. If released to soil, methanol is expected to
have very high mobility based upon an estimated Koc of 1. Volatilization from moist soil surfaces is expected to be an
important fate process based upon a Henry's Law constant of 4.55X10-6 atm-cu m/mole. Methanol may also volatilize from
dry soils based upon it vapor pressure. Biodegradation of methanol in soils is expected to occur rapidly based on half-lives in
a sandy silt loam from Texas and a sandy loam from Mississippi of 1 and 3.2 days, respectively. If released into water,
methanol is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from
water surfaces is expected to be an important fate process based upon this compound's Henry's Law constant. Estimated
volatilization half-lives for a model river and model lake are 3 and 35 days, respectively. Biodegradation is expected to occur
Continued on Next Page
cis-1,3-Dichloropropene
(1mg/ml in Methanol) [for Water Analysis]
in natural waters since methanol is degraded quickly in soils and was biodegraded rapidly in various aqueous screening tests
using sewage seed or activated sludge. BCF values of less than 10, measured in fish suggests bioconcentration in aquatic
organisms is low. Hydrolysis of methanol and photolysis in sunlit surface waters are not expected since methanol lacks
functional groups that are susceptible to hydrolysis or photolysis under environmental conditions. Occupational exposure to
methanol may occur through inhalation and dermal contact with this compound at workplaces where methanol is produced or
used. Monitoring data indicate that the general population may be exposed to methanol via inhalation of ambient air, and
ingestion of food and drinking water.
Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.
Section XIV. Transport Information
DOT ClassificationDOT CLASS 3: Flammable liquid.
DOT CLASS 6.1: Toxic material.
PIN Number
Proper Shipping NameFlammable liquid, toxic, n.o.s.
II
Packing Group (PG)
DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified inpidual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS ClassificationCLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F).
CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).
(Canada)
EINECS Number (EEC)233-195-8
200-659-6 (Methanol)
EEC Risk StatementsR10- Flammable.
R18- In use, may form flammable/explosive vapor-air mixture.
R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.
R51- Toxic to aquatic organisms.
R53- May cause long-term adverse effects in the aquatic environment.
R36/37/38- Irritating to eyes, respiratory system and skin.
R45- May cause cancer.
Japanese Regulatory DataENCS no.: 2-125
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：25.7

2、摩尔体积（cm³/mol）：94.4

3、等张比容（90.2K）：215.6

4、表面张力（dyne/cm）：27.1

5、介电常数：无可用的

6、极化率（10^-24cm³）：10.18

7、单一同位素质量：109.969006 Da

8、标称质量：110 Da

9、平均质量：110.9699 Da

计算化学数据

1、 疏水参数计算参考值（XlogP）：1.7

2、 氢键供体数量：0

3、 氢键受体数量：0

4、 可旋转化学键数量：1

5、 拓扑分子极性表面积（TPSA）：0

6、 重原子数量：5

7、 表面电荷：0

8、 复杂度：31.9

9、 同位素原子数量：0

10、 确定原子立构中心数量：0

11、 不确定原子立构中心数量：0

12、 确定化学键立构中心数量：1

13、 不确定化学键立构中心数量：0

14、 共价键单元数量：1