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

HCID 15323598

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基本情報

CAS: 118089-89-7
標準SMILES: O=S(=O)(c1ccc(CBr)cc1)C(F)(F)F
InChIKey: HOUVBAVXMFCMRJ-UHFFFAOYSA-N
分子式: C8H6BrF3O2S
平均分子量: 303.1 g/mol
単同位体質量: 301.92239719

名称と識別子

優先名称: 1-(broMoMethyl)-4-((trifluoroMethyl)sulfonyl)benzene
IUPAC: 1-(bromomethyl)-4-(trifluoromethylsulfonyl)benzene
英語名: 1-(broMoMethyl)-4-((trifluoroMethyl)sulfonyl)benzene
分子式: C8H6BrF3O2S
分子量: 303.1

名称と別名

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

名称をさらに表示

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

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.2
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 299

物理化学的性質

沸点: 321.5 · 321.5±42.0 °C(Predicted)
比重(密度): 1.711 · 1.711±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.