1-(broMoMethyl)-4-((trifluoroMethyl)sulfonyl)benzene

HCID 15323598

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 118089-89-7
표준 SMILES: O=S(=O)(c1ccc(CBr)cc1)C(F)(F)F
InChIKey: HOUVBAVXMFCMRJ-UHFFFAOYSA-N
분자식: C8H6BrF3O2S
평균 분자량: 303.1 g/mol
단동위원소 질량: 301.92239719

이름 및 식별자

우선 이름: 1-(broMoMethyl)-4-((trifluoroMethyl)sulfonyl)benzene
IUPAC: 1-(bromomethyl)-4-(trifluoromethylsulfonyl)benzene
영어명: 1-(broMoMethyl)-4-((trifluoroMethyl)sulfonyl)benzene
분자식: C8H6BrF3O2S
분자량: 303.1

이름 및 동의어

118089-89-71-(broMoMethyl)-4-((trifluoroMethyl)sulfonyl)benzeneBenzene, 1-(bromomethyl)-4-[(trifluoromethyl)sulfonyl]-1-(BROMOMETHYL)-4-(TRIFLUOROMETHYLSULFONYL)BENZENE1-(BROMOMETHYL)-4-TRIFLUOROMETHANESULFONYLBENZENE1-(bromomethyl)-4-[(trifluoromethyl)sulfonyl]benzeneMFCD147062804-(Bromomethyl)(trifluoromethylsulfonyl)benzene4-Triflyl-alpha-bromotolueneSCHEMBL1099385DTXSID80571485AKOS015890999

이름 더 보기

1-(bromethyl)-4-[(trifluoromethyl)sulfonyl]benzene

4-(trifluoromethylsulfonyl)benzyl bromideDB-084524G545751-Bromomethyl-4-trifluoromethanesulfonyl-benzeneEN300-33957381-(Bromomethyl)-4-(trifluoromethanesulfonyl)benzene

데이터베이스 식별자

CAS: 118089-89-7
PubChem CID: 15323598
DTXSID: DTXSID80571485
EC Number: 177-317-7
Nikkaji: J873.430E

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 299

물리화학적 성질

끓는 점: 321.5 · 321.5±42.0 °C(Predicted)
밀도: 1.711 · 1.711±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.