芥子气
- 中文名称：
- 芥子气
- 中文别名：
- 芥子气;
二氯二乙硫醚;
二(2-氯乙)硫醚;
2,2`-二氯乙硫醚
- 英文名称：
- Mustard gas
- 英文别名：
- bis(2-chloroethyl) sulfide;
2,2'-dichloroethyl sulfide;
sulfur mustard;
YPERITE;
Dichlorodiethyl sulfide;
bis-(2-chloroethyl)-sulphide;
BIS(2-CHLORETHYL)SULPHIDE;
2,2`-dichlorodiethyl sulfide;
(chloromethyl)methyl sulfide;
Mustard gas;
sulphur mustard
- CAS No.：
- 505-60-2
- 分 子 式：
-
C4H8Cl2S
- 分 子 量：
- 159.07732
- 精确分子量：
- 157.97200
- PSA：
- 25.30000
- InChI：
- The Key: QKSKPIVNLNLAAV-UHFFFAOYSA-N3
- SDS：
- 查看
芥子气 物化性质
- 外观与性状：
- 无色油性液体
- 密度：
- 1.211g/cm3
- 熔点：
- 14.4ºC
- 沸点：
- 216ºC at 760mmHg
- 闪点：
- 89.4ºC
- 折射率：
- 1.494
- 存储条件/存储方法：
- 库房通风低温干燥,与氧化剂、食品添加剂、酸类分开存放
芥子气 安全信息
- 包装等级：
- I
- 风险类别：
- 6.1(a)
- 海关代码：
- 2930909014
芥子气 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- WQ0900000
- CHEMICAL NAME :
- Sulfide, bis(2-chloroethyl)
- CAS REGISTRY NUMBER :
- 505-60-2
- BEILSTEIN REFERENCE NO. :
- 1733595
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 89
- MOLECULAR FORMULA :
- C4-H8-Cl2-S
- MOLECULAR WEIGHT :
- 159.08
- WISWESSER LINE NOTATION :
- G2S2G
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human - man
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Human - man
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 23 ppm/10M
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 64 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise
specified
Sense Organs and Special Senses (Eye) - conjunctive irritation
Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 mg/m3/10M
- 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 :
- 5 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1500 ug/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal)
Gastrointestinal - hypermotility, diarrhea
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 700 ug/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 - mouse
- DOSE/DURATION :
- 120 mg/m3/10M
- 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 - mouse
- DOSE/DURATION :
- 92 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8600 ug/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 :
- Mammal - dog
- DOSE/DURATION :
- 70 mg/m3/10M
- 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 :
- Mammal - dog
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 5 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 200 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 80 mg/m3/10M
- 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 :
- Mammal - cat
- DOSE/DURATION :
- 70 mg/m3/10M
- 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 - rabbit
- DOSE/DURATION :
- 280 mg/m3/10M
- 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 :
- 40 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1100 ug/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 - guinea pig
- DOSE/DURATION :
- 200 mg/m3/10M
- 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 - guinea pig
- DOSE/DURATION :
- 20 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 190 mg/m3/10M
- 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 :
- Mammal - domestic
- DOSE/DURATION :
- 50 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 19500 ug/kg/13W-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 100 ug/m3/6H/52W-I
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - corneal damage
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 ug/m3/1Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Skin and Appendages - tumors
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1250 mg/m3/15M-C
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Blood - leukemia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6 mg/kg/6W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Tumorigenic - tumors at site of application
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg/6D-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 20 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 25 mg/kg
- SEX/DURATION :
- male 10 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
sperm morphology, motility, and count)
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
number of implants per female; total number of implants per corpora lutea)
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 68800 ug/kg
- SEX/DURATION :
- multigeneration
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
gain)
Reproductive - Effects on Newborn - delayed effects
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 11200 ug/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
- TYPE OF TEST :
- Specific locus test
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- Heritable translocation test
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA
- TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Bird - chicken Leukocyte
- DOSE/DURATION :
- 30 mmol/L
- REFERENCE :
- TELEAY Tetrahedron Letters. (Pergamon Press Ltd., Headington Hill Hall,
Oxford OX3 OBW, UK) 1959- Volume(issue)/page/year: (29),2477,1975
*** REVIEWS ***
IARC Cancer Review:Human Sufficient Evidence
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,259,1987
IARC Cancer Review:Animal Limited Evidence
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,259,1987
IARC Cancer Review:Group 1
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,259,1987
TOXICOLOGY REVIEW
85CVA2 "Oncology 1970, Proceedings of the Tenth International Cancer
Congress," Chicago, Year Book Medical Pub., 1971 Volume(issue)/page/year:
5,63,1970
*** OCCUPATIONAL EXPOSURE LIMITS ***
OEL-FINLAND;Carcinogen JAN 1993
OEL-FRANCE;Carcinogen JAN 1993
OEL-GERMANY;Carcinogen JAN 1993
OEL-SWEDEN;Carcinogen JAN 1993
OEL-SWITZERLAND;Carcinogen JAN 1993
芥子气 海关数据
中国海关编码：2930909014
- 概述：
- 2930909014 二(2-氯乙基)硫醚〔即芥子气〕。监管条件:3(两用物项和技术出口许可证)2(两用物项和技术出口许可证,两用物项和技术进口许可证)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 监管条件：
- 3.两用物项和技术出口许可证2.两用物项和技术进口许可证
- 摘要/Summary：
- 2930909014 bis(2-chloroethyl)sulfane。supervision conditions:3(export license for dual-use item and technologies)2(export license for dual-use item and technologies,import license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:30.0%
芥子气 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）:2.1
2.氢键供体数量:0
3.氢键受体数量:1
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:25.3
7.重原子数量:7
8.表面电荷:0
9.复杂度:28.9
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