2-Chloroethyl methyl sulfide (HCID 10965)

名称と識別子

優先名称: 2-Chloroethyl methyl sulfide
IUPAC: 1-chloro-2-methylsulfanylethane
現地名: 2-クロロエチルメチルスルフィド
英語名: 2-Chloroethyl methyl sulfide
分子式: C3H7ClS
分子量: 110.61

名称と別名

2-Chloroethyl methyl sulfide542-81-41-CHLORO-2-(METHYLTHIO)ETHANEEthane, 1-chloro-2-(methylthio)-NSC-91724422D246XB5DTXSID50202557CEMSRefChem:470425DTXCID80125048208-828-6(2-Chloroethyl)(methyl)sulfane

名称をさらに表示

2-クロロエチルメチルスルフィド(2-クロロエチル)(メチル)スルフィド2-クロロエチル(メチル)スルフィドメチル(2-クロロエチル)スルフィドメチル2-クロロエチルスルフィド(2-クロロエチル)メチルスルフィド1-クロロ-2-(メチルチオ)エタン2-(メチルチオ)エチルクロリド2-クロロエチル=メチル=スルフィド2-クロロエチルメチルスルフィド (HIGH PURITY)1-クロロ-2-(メチルスルファニル)エタンNSC 91724HEMISULFUR MUSTARD2-CHLOROETHYLMETHYLSULPHIDE2-(METHYLTHIO)ETHYL CHLORIDEB-CHLOROETHYL METHYL SULFIDEMethyl 2-chloroethyl sulfideSulfide, 2-chloroethyl methyl

1-Chloro-2-(methylsulfanyl)ethane1-chloro-2-methylsulfanylethane2-Methylthioethyl chloride2-Chloroethyl methyl sulphideC3H7ClS2-chloroethyl methylsulfide2-Chloroethyl-d4 methyl sulfide1-chloro-2-methylsulfanyl-ethane

データベース識別子

CAS: 542-81-4
PubChem CID: 10965
DTXSID: DTXSID50202557
UNII: 422D246XB5
EC Number: 208-828-6
Nikkaji: J35.932G

物性

構造計算による物性

XLogP: 1.5
極性表面積: 25.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 5
形式電荷: 0
複雑度: 16

実験および物理化学的性質

Physical DescriptionYellow liquid with a stench; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 55 · 55-56 °C/30 mmHg (lit.)
比重(密度): 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.496(lit.)
闪点: 108 °F · 108 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 1.12 · 1.12
BRN: 1731033 · 1731033
Henry's Law Constant: 5.3 · 5.3×10-2 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008)
InChI: InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3
InChIKey: MYFKLQFBFSHBPA-UHFFFAOYSA-N
SMILES: C(Cl)CSC
CAS データベース: 542 · 542-81-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazards SummaryCauses 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 CategoriesFlam. 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%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-13
wgk: 3
ridadr: UN 2924 3/PG 3
hs_code: 2930.90.9250
risk_code: 10-20/22-34-23/24-22-45
化審法: (2)-467
消防法: 危-4-2-III
hazard_code: C,T
safety_code: 26-36/37/39-45-53
hazard_class: 3.2
packing_group: III
Hazard Classifications: Acute Tox. 4 OralCarc. 1AFlam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用2-Chloroethyl methyl sulfide is a monofunctional chemical analog of sulfur mustard and has been used to study the potential of 2,6-dithiopurine as an antagonist of sulfur mustard.