3,4,5-トリフルオロベンジルブロミド

3,4,5-Trifluorobenzyl bromide

HCID 2777062

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基本情報

CAS: 220141-72-0
標準SMILES: Fc1cc(CBr)cc(F)c1F
InChIKey: MPEKZIYOLQCWLL-UHFFFAOYSA-N
分子式: C7H4BrF3
平均分子量: 225.01 g/mol
単同位体質量: 223.94485

名称と識別子

優先名称: 3,4,5-Trifluorobenzyl bromide
IUPAC: 5-(bromomethyl)-1,2,3-trifluorobenzene
現地名: 3,4,5-トリフルオロベンジルブロミド
英語名: 3,4,5-Trifluorobenzyl bromide
分子式: C7H4BrF3
分子量: 225.01

名称と別名

3,4,5-Trifluorobenzyl bromide220141-72-0DTXSID40380358RefChem:90915DTXCID80331384625-477-85-(Bromomethyl)-1,2,3-trifluorobenzeneMFCD00083528Benzene, 5-(bromomethyl)-1,2,3-trifluoro-SCHEMBL3910295-(bromomethyl)-1,2,3-trifluoro-benzene3,4,5-Trifluorobenzyl bromide, 95%

名称をさらに表示

3,4,5-トリフルオロベンジルブロミド3,4,5-トリフルオロブロモベンゼン5-(ブロモメチル)-1,2,3-トリフルオロベンゼン-bromo-3,4,5-trifluorotoluene3,4,5-Trifluorobenzoyl bromideà-bromo-3,4,5-trifluorotolueneA-BROMO-3,4,5-TRIFLUOROTOLUENE3,4,5-Trifluorobenzylbromide98%3,4,5-Trifluorobenzyl bromide 98%ALPHA-BROMO-3,4,5-TRIFLUOROTOLUENE

T24643,4,5-trifluorobenzylbromideFT-0614143SBB096756AKOS005064099CS-W022253DS-1386AC-26206

データベース識別子

CAS: 220141-72-0
PubChem CID: 2777062
DTXSID: DTXSID40380358
EC Number: 625-477-8
Nikkaji: J2.894.822K

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 119

物理化学的性質

沸点: 44 · 44-46°C 1mm
比重(密度): 1.689 g/mL · 1.689 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5050(lit.)
闪点: 150 °F · 150 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Light yellow to Brown
BRN: 8680985 · 8680985
InChI: InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey: MPEKZIYOLQCWLL-UHFFFAOYSA-N
SMILES: C1(F)=CC(CBr)=CC(F)=C1F
CAS データベース: 220141 · 220141-72-0(CAS DataBase Reference)

化学的性質

化学的特性Colorless liquid

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 47 reports by companies from 6 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.