2,5-ビス(トリフルオロメチル)ベンジルブロマイド臭化物

2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene

HCID 2773199

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 302911-98-4
標準SMILES: FC(F)(F)c1ccc(C(F)(F)F)c(CBr)c1
InChIKey: CHSQGVCRNVEWIA-UHFFFAOYSA-N
分子式: C9H5BrF6
平均分子量: 307.03 g/mol
単同位体質量: 305.94788

名称と識別子

優先名称: 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene
IUPAC: 2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene
現地名: 2,5-ビス(トリフルオロメチル)ベンジルブロマイド臭化物
英語名: 2,5-Bis(trifluoromethyl)benzyl bromide
分子式: C9H5BrF6
分子量: 307.03

名称と別名

2-(bromomethyl)-1,4-bis(trifluoromethyl)benzeneRefChem:459912302911-98-42,5-Bis(trifluoromethyl)benzyl bromideMFCD00799485Benzene, 2-(bromomethyl)-1,4-bis(trifluoromethyl)-2,5-bis(Trifluoromethyl)benzylbromide2,5-BIS(TRIFLUORMETHYL)BENZYL BROMIDE2-(2-BROMOETHYL)-1,4-BIS(TRIFLUOROMETHYL)BENZENE1,4-Bis(trifluoromethyl)-2-(bromomethyl)benzeneSCHEMBL1775557DTXSID80378279

名称をさらに表示

2,5-ビス(トリフルオロメチル)ベンジルブロマイド臭化物2,5-ビス(トリフルオロメチル)ベンジルブロミド2,5-ビス(トリフルオロメチル)ベンジルブロマイド2,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE ISO 9001：2015 REACH

AKOS005257750PS-9882AC-26169SY040262DB-0477452,5-Bis(trifluoromethyl)benzyl bromide 97%2,5-Bis(trifluoromethyl)benzyl bromide, 97%N12037

データベース識別子

CAS: 302911-98-4
PubChem CID: 2773199
DTXSID: DTXSID80378279
EC Number: 642-624-1
Nikkaji: J2.652.114I

物性

構造計算による物性

XLogP: 4.2
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 233

物理化学的性質

沸点: 176 · 176
比重(密度): 1.674 g/mL · 1.674 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.449(lit.)
闪点: 91 °C · 91 °C
貯蔵温度: 2 · Storage temp. 2-8°C
外見: liquid
色: Clear, colourless
InChI: 1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2
InChIKey: CHSQGVCRNVEWIA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(c(CBr)c1)C(F)(F)F
CAS データベース: 302911 · 302911-98-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 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 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.