1-(ブロモメチル)-2-フルオロ-4-(トリフルオロメチル)ベンゼン

2-Fluoro-4-(trifluoromethyl)benzyl bromide

HCID 2737570

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 239087-07-1
標準SMILES: Fc1cc(C(F)(F)F)ccc1CBr
InChIKey: MQUCRCQNRDHRPL-UHFFFAOYSA-N
分子式: C8H5BrF4
平均分子量: 257.02 g/mol
単同位体質量: 255.95107514

名称と識別子

優先名称: 2-Fluoro-4-(trifluoromethyl)benzyl bromide
IUPAC: 1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene
現地名: 1-(ブロモメチル)-2-フルオロ-4-(トリフルオロメチル)ベンゼン
英語名: 2-Fluoro-4-(trifluoromethyl)benzyl bromide
分子式: C8H5BrF4
分子量: 257.02

名称と別名

239087-07-11-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene2-Fluoro-4-(trifluoromethyl)benzyl bromideDTXSID80372151RefChem:472345DTXCID40323184638-978-1MFCD000611732-fluoro-4-(trifluoromethyl)benzylbromideSCHEMBL1117948AKOS005259091PS-9944

名称をさらに表示

1-(ブロモメチル)-2-フルオロ-4-(トリフルオロメチル)ベンゼン2-フルオロ-4-(トリフルオロメチル)ベンジルブロミド4-(Bromomethyl)-3-fluorobenzotrifluorideà-bromo-2-fluoro-4-(trifluoromethyl)toluenea-Bromo-2-fluoro-4-(trifluoromethyl)toluene2-Fluoro-4-(trifluoromethyl)benzylbromide98%2-Fluoro-4-(trifluoromethyl)benzyl bromide 98%2-Fluoro-4-(trifluoromethyl)bromomethylbenzeneBenzene, 1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)-4-(Bromomethyl)-3-fluorobenzotrifluoride, 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene, alpha-Bromo-alpha',alpha',alpha',2-Tetrafluoro-p-xylene

AMY21310A223282-fluoro-4-trifluoromethylbenzylSBB0708862-fluoro-4-trifluoromethylbenzyl bromide2-fluoro-4-trifluoromethyl-benzyl bromideAC-26197SY106428

データベース識別子

CAS: 239087-07-1
PubChem CID: 2737570
DTXSID: DTXSID80372151
EC Number: 638-978-1

物性

構造計算による物性

XLogP: 3.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 168

物理化学的性質

融点: 28 · 28-30°C
沸点: 197 ℃ · 197℃
比重(密度): 1.64 · 1.640
闪点: 95 ℃ · 95℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Low-Melting Solid
色: White to Off-White

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+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.