2,4,6-トリフルオロベンジルブロミド

2,4,6-Trifluorobenzyl bromide

HCID 2777059CAS 151411-98-2

部分構造検索類似構造を探す

基本情報

標準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
単同位体質量: 223.94484689

名称と識別子

優先名称: 2,4,6-Trifluorobenzyl bromide
IUPAC: 2-(bromomethyl)-1,3,5-trifluorobenzene
現地名: 2,4,6-トリフルオロベンジルブロミド
英語名: 2,4,6-Trifluorobenzyl bromide
分子式: C7H4BrF3
分子量: 225.01

名称と別名

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

名称をさらに表示

2,4,6-トリフルオロベンジルブロミド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

データベース識別子

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

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: 177.4 · 177.4±35.0 °C(Predicted)
比重(密度): 1.71 · 1.710±0.06 g/cm3(Predicted)
屈折率: 1.502 · 1.502
貯蔵温度: 2 · Storage temp. 2-8°C
外見: liquid
色: Pale yellow
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 データベース: 151411 · 151411-98-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (83%)

安全データ

wgk: WGK 3
tsca: T
ridadr: 1760
hs_code: 2903998090
risk_code: 34-36-25
hazard_code: C,T
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects