클로로(2-)에틸메틸슐파이드
2-Chloroethyl methyl sulfide
기본 정보
- CAS
542-81-4- 표준 SMILES
CSCCCl- InChIKey
MYFKLQFBFSHBPA-UHFFFAOYSA-N- 분자식
- C3H7ClS
- 평균 분자량
- 110.61 g/mol
- 단동위원소 질량
- 109.9956991
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)-DTXSID50202557NSC-91724422D246XB5CEMSRefChem: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 sulphide2-chloroethyl methylsulfide2-Chloroethyl-d4 methyl sulfide1-chloro-2-methylsulfanyl-ethane22599-69-5
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 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 16.4
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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.
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%)
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
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.
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