CAS 176225-10-8 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride (HCID 2778608)

基本情報

CAS: 176225-10-8
標準SMILES: O=S(=O)(Cl)c1ccc(Br)cc1C(F)(F)F
InChIKey: YFXYEMZYOMNQLD-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: 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
IUPAC: 4-bromo-2-(trifluoromethyl)benzenesulfonyl chloride
現地名: 4-ブロモ-2-(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: 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
分子式: C7H3BrClF3O2S
分子量: 323.52

名称と別名

176225-10-84-Bromo-2-(trifluoromethyl)benzenesulfonyl chlorideDTXSID00381028RefChem:290663DTXCID80332053625-767-44-bromo-2-(trifluoromethyl)benzene-1-sulfonyl chlorideMFCD03094392Benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)-4-bromo-2-(trifluoromethyl)benzene sulphonyl chloride4-bromo-2-(trifluoromethyl)benzenesulfonylchloride4-bromo-2-trifluoromethylbenzenesulfonyl chloride

名称をさらに表示

4-ブロモ-2-(トリフルオロメチル)ベンゼンスルホニルクロリド4-ブロモ-2-(トリフルオロメチル)ベンゼンスルホニルクロリド, 97%BUTTPARK 99\11-484-Bromo-2-(trifluoro4-Bromo-2-(trifluoromet4-Bromo-2-(trifluoromethyl)benzene chlor5-Bromo-2-(chlorosulphonyl)benzotrifluoride4-bromo-2-(trifluoromethyl)phenylsulfonyl chloride-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride4-Bromo-2-(trifluoromethyl)benzene chlorosulphonamide

SCHEMBL6955644-bromo-2-(trifluoromethyl)benzenesulphonyl chlorideSCHEMBL29843259SBB063778AKOS005254442AS-9714CS-W011989SY026730

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

融点: 54 · 54-58 °C (lit.)
沸点: 285.6 · 285.6±40.0 °C(Predicted)
比重(密度): 1.84 · 1.840±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: crystalline powder
色: Faint yellow to light orange
InChI: 1S/C7H3BrClF3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
InChIKey: YFXYEMZYOMNQLD-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(Br)ccc1S(Cl)(=O)=O
CAS データベース: 176225 · 176225-10-8(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, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.