((Chloromethyl)sulphonyl)benzene

HCID 81625CAS 7205-98-3

기본 정보

표준 SMILES: O=S(=O)(CCl)c1ccccc1
InChIKey: NXAIQSVCXQZNRY-UHFFFAOYSA-N
분자식: C7H7ClO2S
평균 분자량: 190.65 g/mol
단동위원소 질량: 189.98552814

이름 및 식별자

우선 이름: ((Chloromethyl)sulphonyl)benzene
IUPAC: chloromethylsulfonylbenzene
영어명: CHLOROMETHYL PHENYL SULFONE
분자식: C7H7ClO2S
분자량: 190.65

이름 및 동의어

7205-98-3((Chloromethyl)sulfonyl)benzenePhenyl chloromethyl sulfone((Chloromethyl)sulphonyl)benzeneBenzene, [(chloromethyl)sulfonyl]-Benzene, ((chloromethyl)sulfonyl)-EINECS 230-581-8QB5SR7NM49NSC-41586DTXSID002223861-CHLOROMETHYLSULFONYLBENZENENSC 41586

이름 더 보기

CHLOROMETHYL PHENYL2-ChloroMethylphenylsulfonechloromethyl phenyl sulphone(Phenylsulfonyl)chloromethanePhenylsulfonylmethyl chloride

AI3-09778[(chloromethyl)sulfonyl]benzene[(CHLOROMETHYL)SULPHONYL]BENZENERefChem:390366DTXCID00144877230-581-8Chloromethyl phenyl sulfonechloromethylsulfonylbenzene

데이터베이스 식별자

CAS: 7205-98-3
PubChem CID: 81625
DTXSID: DTXSID00222386
UNII: QB5SR7NM49
EC Number: 230-581-8
Nikkaji: J129.166A

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 199

실험 및 물리화학적 성질

LogP1.24

물리화학적 성질

녹는점: 51 · 51-53 °C (lit.)
끓는 점: 130 °C · 130 °C / 1mmHg
밀도: 1.336 · 1.336±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 2046644 · 2046644
InChI: 1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: NXAIQSVCXQZNRY-UHFFFAOYSA-N
SMILES: ClCS(=O)(=O)c1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29049095
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Chloromethyl Phenyl Sulfone is used to synthesis of α,β-epoxy sulfones and aziridines; reacts with electrophilic arenes, heterocyclic arenes, and alkenes; source of the α-phenylsulfonylmethyl radical.