CAS 151411-98-2 2,4,6-三氟溴苄 (HCID 2777059)

基本信息

CAS: 151411-98-2
标准SMILES: Fc1cc(F)c(CBr)c(F)c1
InChIKey: SPPLWANVCVTGEQ-UHFFFAOYSA-N
分子式: C7H4BrF3
平均分子量: 225.01 g/mol
单同位素质量: 223.94484689

名称与标识

首选名称: 2,4,6-Trifluorobenzyl bromide
IUPAC: 2-(bromomethyl)-1,3,5-trifluorobenzene
中文名: 2,4,6-三氟溴苄
英文名: 2,4,6-Trifluorobenzyl bromide
分子式: C7H4BrF3
分子量: 225.01

名称与别名

2,4,6-Trifluorobenzyl bromide151411-98-2DTXSID20380356RefChem:82121DTXCID60331382642-861-0SPPLWANVCVTGEQ-UHFFFAOYSA-N2-(bromomethyl)-1,3,5-trifluorobenzeneBenzene, 2-(bromomethyl)-1,3,5-trifluoro-MFCD000612102-(bromomethyl)-1,3,5-trifluoro-benzeneSCHEMBL189364

展开更多名称

2,4,6-三氟苄溴2,4,6-三氟溴苄2,4,6-三氟苯苄溴2,4,6-三氟苄基溴2,4,6-三氟苯甲酰溴,97%à-bromo-2,4,6-trifluorotoluene2,4,6-Trifluorobenzylbromide97%2,4,6-Trifluorobenzyl bromide 97%alpha-Bromo-2,4,6-trifluorotoluene

CK2040SBB096755AKOS009158634AC-26205AS-45854SY2277462,4,6-trifluorobenzyl bromide, AldrichCPREN300-1912473

数据库标识

CAS: 151411-98-2
PubChem CID: 2777059
DTXSID: DTXSID20380356
EC Number: 642-861-0

性质

结构计算性质

XLogP: 2.8
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 119

物理化学性质

沸点: 177.4 · 177.4±35.0 °C(Predicted)
密度: 1.71 · 1.710±0.06 g/cm3(Predicted)
折射率: 1.502 · 1.502
储存条件: 2 · Storage temp. 2-8°C
形态: liquid
颜色: Pale yellow
敏感性: Lachrymatory
BRN: 8763072 · 8763072
InChI: InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKey: SPPLWANVCVTGEQ-UHFFFAOYSA-N
SMILES: C1(F)=CC(F)=CC(F)=C1CBr
CAS 数据库: 151411 · 151411-98-2(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (83%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, 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. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (83%)

安全数据

wgk: WGK 3
tsca: T
hazard_note: Corrosive/Lachrymatory
包装类别: II
危险等级: 8
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
安全说明: 26-36/37/39-45
海关编码: 2903998090
危险品标志: C,T
危险性类别: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
危险类别码: 34-36-25
危险品运输编号: 1760