1,2-Propanediol,3-(4-chlorophenoxy)-
- 中文别名：氯苯甘醚
- 中文释义：氯苯甘醚;3-对氯苯氧基-1,2-丙二醇;氯苯、一氯代苯;3-(4-氯苯氧基)-1,2-丙二醇
- 英文别名：chlorphenesin;
Chlorophenesin;
Gecophen;
3-(4-chlorophenoxy)propane-1,2-diol;
Adermykon;
Chlorphenesinum;
Chlorphenesine;
Clorfenesina;
Demykon;
Mycil;
Chlorphenesin
- CAS No.：104-29-0
- 分子式：
C9H11ClO3
- 分子量：202.64
- 精确分子量：202.04000
- PSA：49.69000
- MDL：MFCD00021990
- InChI：InChI=1/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2/t8-/m0/s1
- 分子结构式：
物化性质
- 外观与性状：
- 白色至灰白色结晶粉末
- 密度：
- 1.317g/cm3
- 熔点：
- 77-79°C
- 沸点：
- 369.5ºC at 760mmHg
- 闪点：
- 177.2ºC
- 折射率：
- 1.565
- 蒸汽压：
- 4.13E-06mmHg at 25°C
- 存储条件/存储方法：
储存于阴凉、通风的库房。远离火种、热源、水源。保持容器密封。应与氧化剂、还原剂分开存放，切忌混储。配备相应品种和数量的消防器
氯苯甘醚 安全信息
- 海关代码：
- 2909499000
- 危险类别码：
- R20/21/22
- 安全说明：
- S26-S36
- 安全标志：
- S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
安全信息
- 外观与性状：
- 白色至灰白色结晶粉末
- 密度：
- 1.317g/cm3
- 熔点：
- 77-79°C
- 沸点：
- 369.5ºC at 760mmHg
- 闪点：
- 177.2ºC
- 折射率：
- 1.565
- 蒸汽压：
- 4.13E-06mmHg at 25°C
- 存储条件/存储方法：
储存于阴凉、通风的库房。远离火种、热源、水源。保持容器密封。应与氧化剂、还原剂分开存放，切忌混储。配备相应品种和数量的消防器
氯苯甘醚 安全信息
- 海关代码：
- 2909499000
- 危险类别码：
- R20/21/22
- 安全说明：
- S26-S36
- 安全标志：
- S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TY4260000
- CHEMICAL NAME :
- 1,2-Propanediol, 3-(p-chlorophenoxy)-
- CAS REGISTRY NUMBER :
- 104-29-0
- BEILSTEIN REFERENCE NO. :
- 2210845
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H11-Cl-O3
- MOLECULAR WEIGHT :
- 202.65
- WISWESSER LINE NOTATION :
- Q1YQ1OR DG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 911 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,470,1948
- 毒理学数据：
急性毒性：小鼠皮下LD50：911mg/kg；
- 生态数据：
通常对水没有危害。
MSDS
Material Safety Data Sheet
Section1. Identification of the substance
Chlorphenesin
Product Name:
Synonyms:3-(4-Chlorophenoxy)-1,2-Propanediol
Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up
Section3. Composition/information on ingredients.
Chlorphenesin
Ingredient name:
CAS number:104-29-0
Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:
Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.
Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.
Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.
Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section9. Physical and chemical properties
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C9H11ClO3
Molecular weight:202.6
Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride.
Section11. Toxicological information
No data.
Section12. Ecological information
No data.
Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.
Section14. Transportation information
Non-harzardous for air and ground transportation.
Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2909499000
- 概述：
- 2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:1.2
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积49.7
7.重原子数量:13
8.表面电荷:0
9.复杂度:135
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:1
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
