2-氟苯乙基溴

2-Fluorophenethyl bromide

HCID 2756964CAS 91319-54-9

子结构检索查找相似结构

基本信息

标准SMILES: Fc1ccccc1CCBr
InChIKey: FQGDFWIQBCQXPS-UHFFFAOYSA-N
分子式: C8H8BrF
平均分子量: 203.05 g/mol
单同位素质量: 201.97934058

名称与标识

首选名称: 2-Fluorophenethyl bromide
IUPAC: 1-(2-bromoethyl)-2-fluorobenzene
中文名: 2-氟苯乙基溴
英文名: 2-Fluorophenethyl bromide
分子式: C8H8BrF
分子量: 203.05

名称与别名

2-Fluorophenethyl bromide91319-54-9DTXSID00373660RefChem:261118DTXCID00324692627-321-41-(2-bromoethyl)-2-fluorobenzene1-(2-Bromo-ethyl)-2-fluoro-benzeneMFCD041174661-(2-bromoethyl)-2-fluoro-benzene2-fluorophenyl-ethylbromide2-fluorophenyl ethyl bromide

展开更多名称

2-氟苯乙基溴2-氟苯基乙基溴2-氟苯乙基溴 5G1-(2-溴乙基)-2-氟苯2-FLUOROPHENETHYL BR2-Fluorophenethylebromide2-Fluorophenethyl bromide 97%Benzene, 1-(2-bromoethyl)-2-fluoro-2-FLUOROPHENETHYL BROMIDE ISO 9001：2015 REACH

SCHEMBL4593692-Fluorophenethyl bromide, 97%1-(2-Bromo-ethyl)-2-fluorobenzeneAKOS000301913FS-5427SY060877EN300-6751752-(2-bromoethyl)-1-fluorobenzene

数据库标识

CAS: 91319-54-9
PubChem CID: 2756964
DTXSID: DTXSID00373660
EC Number: 627-321-4

性质

结构计算性质

XLogP: 3
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 10
形式电荷: 0
复杂度: 95.3

物理化学性质

沸点: 73 · 73-75 °C/20 mmHg (lit.)
密度: 1.4458 g/mL · 1.4458 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.5340(lit.)
闪点: 197 °F · 197 °F
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
形态: Liquid
颜色: Colorless to yellow
InChI: 1S/C8H8BrF/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey: FQGDFWIQBCQXPS-UHFFFAOYSA-N
SMILES: Fc1ccccc1CCBr

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全数据

wgk: 2
存储类别: 10 - Combustible liquids
安全说明: 61
危险品标志: Xn,N
危险性类别: Acute Tox. 4 Oral
危险类别码: 22-51/53
危险品运输编号: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)