1-Bromo-2,4,5-trifluorobenzene (HCID 67597)

概要

1-Bromo-2,4,5-trifluorobenzene is an organofluorine compound.

名称と識別子

優先名称: 1-Bromo-2,4,5-trifluorobenzene
IUPAC: 1-bromo-2,4,5-trifluorobenzene
現地名: 1-ブロモ-2,4,5-トリフルオロベンゼン
英語名: 1-Bromo-2,4,5-trifluorobenzene
分子式: C6H2BrF3
分子量: 210.98

名称と別名

1-Bromo-2,4,5-trifluorobenzene327-52-65848WZ4MBLDTXSID30186366RefChem:1055022DTXCID40108857206-318-82,4,5-trifluorobromobenzeneBenzene, 1-bromo-2,4,5-trifluoro-MFCD000003065-bromo-1,2,4-trifluorobenzene2-Bromo-1,4,5-trifluorobenzene

名称をさらに表示

1-ブロモ-2,4,5-トリフルオロベンゼン2,4,5-トリフルオロフェニルブロミド1,2,4-トリフルオロ-5-ブロモベンゼン1,2,5-トリフルオロ-4-ブロモベンゼン1-ブロモ-2,4,5-トリフルオロベンゼン臭化物2,4,5-トリフルオロブロモベンゼン2,4,5 bromobenzene1-Bromo-2,4,5-trifL1-Bromo-2,4,5-triflu2,4,5-TRIFLUOROBENZOBROMIDE2,4,5-Trifluorophenyl bromide1,2,4-Trifluoro-5-bromobenzene

1-Bromo-2,4,5-trifluoro-benzeneEINECS 206-318-8UNII-5848WZ4MBLSCHEMBL270218SCHEMBL3454902,4,5-Trifluoro bromo benzeneSCHEMBL293652131-bromo-2,4,5-triluorobenzene

データベース識別子

CAS: 327-52-6
PubChem CID: 67597
DTXSID: DTXSID30186366
ChEBI: CHEBI:189196
UNII: 5848WZ4MBL
EC Number: 206-318-8
Nikkaji: J193.747B

物性

構造計算による物性

XLogP: 2.9
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: 0
重原子数: 10
形式電荷: 0
複雑度: 120

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: 19 °C · −19 °C(lit.)
沸点: 144 °C · 144 °C(lit.)
比重(密度): 1.802 g/mL · 1.802 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.485(lit.)
闪点: 132 °F · 132 °F
貯蔵温度: 2 · 2-8°C
溶解性: 水：不溶
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 1.81 · 1.81
水溶解度: 不溶性
BRN: 1636588 · 1636588
InChI: InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=C(F)C=C1F
CAS データベース: 327 · 327-52-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-bromo-2,4,5-trifluoro-(327-52-6)

化学的性質

化学的特性clear slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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 CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 36/37/38-10
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-36/37/39-37/39-16
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用1-Bromo-2,4,5-trifluorobenzene is the intermediate of liquid crystals. The derivatives of this compound can be used as intermediates for the synthesis of qunolone antibacterial. It is employed in the synthesis of 3-ethenyl, 3-ethynyl, 3-aryl, and 3-cyclopropyl-2, 4, 5-trifluorobenzoic acids from 1-bromo-2, 4, 5-trifluorobenzene and 2, 4, 5-trifluoro-3-hydroxybenzoic acid.

一般的な説明1-Bromo-2,4,5-trifluorobenzene undergoes Br-Mg-exchange reaction with i-PrMgBr in THF to yield organomagnesium compound.