1,2-二乙烷

1,2-二乙烷 基本信息
CAS号 3563-36-8 分子式 C6H12Cl2S2
分子量 219.19500 精确质量 　217.97600
PSA 　50.60000 LogP 　2.93040
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目录
基本信息 物化性质 安全信息 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
3563-36-8
3D弹球模型：
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分子式：
C6H12Cl2S2
分子量：
219.19500
中文名称：
1,2-二乙烷
英文名称：
1,2-bis(2-chloroethylsulfanyl)ethane
中文别名：
1,2-二乙烷
英文别名：
1,2-bis(2-chloroethylsulfanyl)ethane;
Sesquisulfur Mustard;
HSM 1;
Agent Q;
3,6-dithiaoctane-1,8-dichloride;
Sesquimustard;
TL 86;
1,8-Dichloro-3,6-dithiaoctane;
Sesquimustard Q;
SM 1
精确分子量/精确质量：
217.97600
极性分子表面积/PSA：
50.60000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: AMGNHZVUZWILSB-UHFFFAOYSA-N

物化性质展开↓

密度：
1.229g/cm3
沸点：
328.7ºC at 760mmHg
闪点：
144.9ºC
折射率：
1.535

安全信息展开↓

海关代码：
2930909016

合成路线查看所有的合成路线

  • 5244-34-8

    3,6-二硫杂-1,8-辛二醇

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    ~69%

  • 3563-36-8

    1,2-二乙烷

  • 505-60-2

    芥子气

  • →

  • 505-29-3

    1,4-二噻烷

  • +

  • 3563-36-8

    1,2-二乙烷

  • +

  • 107-06-2

    1,2-二氯乙烷

  • +

  • 107-07-3

    2-氯乙醇

  • 7647-01-0

    氯化氢

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  • 111-48-8

    硫二甘醇

  • +

  • 60-24-2

    2-巯基乙醇

  • →

  • 505-60-2

    芥子气

  • +

  • 3563-36-8

    1,2-二乙烷

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KH5425000
CHEMICAL NAME :
Ethane, 1,2-bis(2-chloroethylthio)-
CAS REGISTRY NUMBER :
3563-36-8
BEILSTEIN REFERENCE NO. :
1739199
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C6-H12-Cl2-S2
MOLECULAR WEIGHT :
219.20
WISWESSER LINE NOTATION :
G2S2S2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
300 mg/m3
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes
REFERENCE :
SCJUAD Science Journal. (London, UK) V.1-7, 1965-71. For publisher information, see NWSCAL. Volume(issue)/page/year: 3(4),33,1967
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11 mg/m3/10M
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,677,1963
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 mg/m3/10M
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,677,1963
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB158-507
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
90 mg/m3/2M
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,677,1963
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
8 mg/m3/10M
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,677,1963
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB158-507
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
22 mg/m3/10M
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,677,1963
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
61 mg/m3/10M
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 5,677,1963

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