((2-Chloroethyl)thio)benzene (HCID 21702)

이름 및 식별자

우선 이름: ((2-Chloroethyl)thio)benzene
IUPAC: 2-chloroethylsulfanylbenzene
현지명: 클로로에틸페닐슐파이드
영어명: 2-Chloroethyl phenyl sulfide
분자식: C8H9ClS
분자량: 172.68

이름 및 동의어

[(2-chloroethyl)thio]benzeneBenzene, [(2-chloroethyl)thio]-((2-CHLOROETHYL)THIO)BENZENEBenzene, ((2-chloroethyl)thio)-EINECS 226-891-8NSC 45458DTXSID10203904RefChem:389719DTXCID00126395Benzene, ((2-chloroethyl)thio)-(9CI)226-891-82-Chloroethyl phenyl sulfide

이름 더 보기

클로로에틸페닐슐파이드3-클로로에틸 페닐 설파이드2-CHLOROETHYL PHENYL2-Chlorethyl-phenylsulfid2-chloroethylephenyl sulfide2-(PHENYLTHIO)ETHYL CHLORIDE1-CHLORO-2-(PHENYTHIO)ETHANE3-chloroethyl phenyl sulfidePhenyl 2-chloroethyl sulfide

5535-49-9(2-chloroethyl)(phenyl)sulfane2-chloroethylsulfanylbenzene[(2-Chloroethyl)sulfanyl]benzeneMFCD00013691NSC454581-chloro-2phenylthioethane1-chloro-2-phenylthioethane

데이터베이스 식별자

CAS: 5535-49-9
PubChem CID: 21702
DTXSID: DTXSID10203904
EC Number: 226-891-8
Nikkaji: J31.961I

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 79.3

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Density1.18 @25 °C

Boiling Point245 °C @760 [mm Hg]

Melting Point104 °C

물리화학적 성질

끓는 점: 90 · 90-91 °C/1 mmHg (lit.)
밀도: 1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.583(lit.)
인화점: 104 °C · 104 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.174 · 1.174
색상: 무색의
BRN: 1907116 · 1907116
Henry's Law Constant: 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008)
InChI: 1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey: QDXIHHOPZFCEAP-UHFFFAOYSA-N
SMILES: ClCCSc1ccccc1

화학적 성질

CLEAR COLORLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.76 [mg/m3]

8.3 [mg/m3]

50 [mg/m3]

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 2
HS 번호: 2930909899
risk_code: 34-36/37/38-20/21/22-23/24-45
hazard_code: C,T,Xi,Xn
safety_code: 26-28-36/37/39-45-53
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationCarc. 1AEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Chloroethyl phenyl sulfide, a sulfur mustard agent stimulant, may be used as target analyte in a bioassay for the detection of mustard agent.

일반 설명2-Chloroethyl phenyl sulfide has been reported as sulfur mustard simulant. It is a chemical-warfare agent (CWA) simulant and its oxidation using hydrothane films has been reported. It is also reported as a simulant for the chemical warfare agent mustard [bis(2-chloroethyl) sulfide]. Its reaction with vesicular functionalized double-chain surfactant (potassium O, O′-didodecylphosphorodithioate) at pH 9.0 borate buffer affords [S-[(2-phenylthio)ethyl]O,O′-didodecylphosphorodithioate]. Its oxidation with H2O2 catalyzed by [MnL](ClO4)2 (L = N,N′,N″-tris(2-hydroxypropyl)-1,4,7-triazacyclononane) afforded 2-chloroethyl phenyl sulfone and phenyl vinyl sulfone.

상·하류 제품 정보

상류 원료

하류 제품

페닐N-프로필황화물 2-브로모에틸페닐설파이드 티오아니솔 1,2-비스(페닐티오)에테인

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

연결된 노트

불러오는 중…

클로로에틸페닐슐파이드

기본 정보