2-Chloroethyl methyl sulfide (HCID 10965)

이름 및 식별자

우선 이름: 2-Chloroethyl methyl sulfide
IUPAC: 1-chloro-2-methylsulfanylethane
현지명: 클로로(2-)에틸메틸슐파이드
영어명: 2-Chloroethyl methyl sulfide
분자식: C3H7ClS
분자량: 110.61

이름 및 동의어

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

이름 더 보기

클로로(2-)에틸메틸슐파이드2-클로로메틸 메틸 술파이드NSC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 5
형식 전하: 0
복잡도: 16

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점: 55 · 55-56 °C/30 mmHg (lit.)
밀도: 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.496(lit.)
인화점: 108 °F · 108 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
ridadr: UN 2924 3/PG 3
HS 번호: 2930.90.9250
risk_code: 10-20/22-34-23/24-22-45
hazard_code: C,T
safety_code: 26-36/37/39-45-53
포장분류: III
위험 등급: 3.2
F 고인화성물질: 10-13
Hazard Classifications: Acute Tox. 4 OralCarc. 1AFlam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도2-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.