2-ブロモ-5-(トリフルオロメチル)ベンゼンスルホニルクロリド

2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride

HCID 2778613

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 176225-08-4
標準SMILES: O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Br
InChIKey: CBIFOAHDKKGDAC-UHFFFAOYSA-N
分子式: C7H3BrClF3O2S
平均分子量: 323.52 g/mol
単同位体質量: 321.86777478

名称と識別子

優先名称: 2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride
IUPAC: 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
現地名: 2-ブロモ-5-(トリフルオロメチル)ベンゼンスルホニルクロリド
英語名: 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride
分子式: C7H3BrClF3O2S
分子量: 323.51

名称と別名

2-bromo-5-(trifluoromethyl)benzene-1-sulfonyl chlorideRefChem:466749624-913-4176225-08-42-Bromo-5-(trifluoromethyl)benzenesulfonyl chlorideMFCD030943952-bromo-5-(trifluoromethyl)benzenesulfonylchloride2-Bromo-5-(Trifluoromethyl)Benzenesulphonyl ChlorideBenzenesulfonyl chloride, 2-bromo-5-(trifluoromethyl)-SCHEMBL310121EN300-896902-Bromo-5-trifluoromethyl-benzenesulfonyl chloride

名称をさらに表示

2-ブロモ-5-(トリフルオロメチル)ベンゼンスルホニルクロリド2-BROMO-5-(TRIFLUOROMETHYL)BENZENESULFO&4-Bromo-3-(chlorosulphonyl)benzotrifluoride2-BRMO-5-(TRIFLUOROMETHYL)BENZENESULFONYL C2-BROMO-5-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE 97%4-Bromo-3-(chlorosulphonyl)benzotrifluoride, 4-Bromo-3-(chlorosulphonyl)-alpha,alpha,alpha-trifluorotoluene

2-bromo-5-(trifluoromethyl)benzene sulfonyl chlorideAMY29662-bromo-5-(trifluorA812161SCHEMBL30214735DTXSID90381032AKOS009145587SY063871

データベース識別子

CAS: 176225-08-4
PubChem CID: 2778613
DTXSID: DTXSID90381032
EC Number: 624-913-4
Nikkaji: J2.918.444E

物性

構造計算による物性

XLogP: 3.5
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: 1
重原子数: 15
形式電荷: 0
複雑度: 324

物理化学的性質

沸点: 230 · 230-231 °C (lit.)
比重(密度): 1.854 g/mL · 1.854 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D >1.5290(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: fused / liquid solid
色: Pale lemon
InChI: 1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey: CBIFOAHDKKGDAC-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(Br)c(c1)S(Cl)(=O)=O
CAS データベース: 176225 · 176225-08-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.