CAS 34896-80-5 Benzene, 1-bromo-3-(methylsulfonyl)- (HCID 2757146)

기본 정보

CAS: 34896-80-5
표준 SMILES: CS(=O)(=O)c1cccc(Br)c1
InChIKey: WBOMXUMQOVQNKT-UHFFFAOYSA-N
분자식: C7H7BrO2S
평균 분자량: 235.1 g/mol
단동위원소 질량: 233.93501256

이름 및 식별자

우선 이름: Benzene, 1-bromo-3-(methylsulfonyl)-
IUPAC: 1-bromo-3-methylsulfonylbenzene
영어명: 3-Bromophenylmethylsulfone
분자식: C7H7BrO2S
분자량: 235.1

이름 및 동의어

34896-80-5Benzene, 1-bromo-3-(methylsulfonyl)-m-Bromo(methylsulfonyl)benzeneDTXSID50188448RefChem:562410DTXCID801109391-Bromo-3-(methylsulfonyl)benzene3-bromophenyl methyl sulfone3-Bromophenyl Methyl Sulphone1-bromo-3-methylsulfonylbenzene3-Bromophenylmethylsulfone1-bromo-3-methanesulfonylbenzene

이름 더 보기

3-BROMOPHENYLMETHYLS3-Bromo phenyl methyl3-Bromophenylmethylsulfone ,98%3-Bromophenyl Methyl Sulfone >1-Bromo-3-methanesulfonyl-benzene1-broMo-3-Methanesulphonylbenzene1-Bromo-3-(methylsulphonyl)benzene

3-bromophenylmethyl sulfoneMFCD030953261-bromo-3-methylsulfonyl-benzene3-Bromo phenyl methyl sulfone3-bromo-1-(methylsulfonyl)benzene3-bromophenyl-methyl sulfone1-bromo-3-mesylbenzeneSCHEMBL265696

데이터베이스 식별자

CAS: 34896-80-5
PubChem CID: 2757146
DTXSID: DTXSID50188448
EC Number: 639-429-9
Nikkaji: J757.810E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 100 · 100-104°C
끓는 점: 362.8 · 362.8±34.0 °C(Predicted)
밀도: 1.595 · 1.595±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 고체
색상: 하얀색

화학적 성질

White Solid

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.