HCID10965

2-Chloroethyl methyl sulfide

1-chloro-2-methylsulfanylethane

C3H7ClS110.61 g/molCAS 542-81-4

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IDENTITY

结构与身份

标准SMILES: CSCCCl
InChIKey: MYFKLQFBFSHBPA-UHFFFAOYSA-N
分子式: C3H7ClS
平均分子量: 110.61 g/mol
单同位素质量: 109.9956991

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 25.3 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 5
形式电荷: 0
复杂度: 16

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

Yellow liquid with a stench; [Sigma-Aldrich MSDS]

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (95.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (95.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H350 (95.3%): May cause cancer [Danger Carcinogenicity]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazards Summary

Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; Toxic by inhalation and skin absorption; Possible carcinogen; [Sigma-Aldrich MSDS] See Bis(2-chloroethyl)sulfide.

Hazard Classes and Categories

Flam. Liq. 3 (100%)；Acute Tox. 4 (97.7%)；Acute Tox. 3 (95.3%)；Skin Corr. 1B (100%)；Acute Tox. 3 (95.3%)；Carc. 1A (95.3%)

TOXICITY

毒理信息

来源：PubChem

Adverse Effects

Dermatotoxin - Skin burns.

ALIASES

名称与别名

共 71 条

2-Chloroethyl methyl sulfide542-81-41-CHLORO-2-(METHYLTHIO)ETHANEEthane, 1-chloro-2-(methylthio)-NSC-91724422D246XB5DTXSID50202557CEMSRefChem:470425DTXCID80125048208-828-6(2-Chloroethyl)(methyl)sulfane1-Chloro-2-(methylsulfanyl)ethane1-chloro-2-methylsulfanylethane2-Methylthioethyl chloride2-Chloroethyl methyl sulphideC3H7ClS2-chloroethyl methylsulfide2-Chloroethyl-d4 methyl sulfide1-chloro-2-methylsulfanyl-ethane

REACTIONS

参与反应

95 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05731336

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uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05244907

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