1-Bromo-2,4-difluorobenzene (HCID 67674)

名称と識別子

優先名称: 1-Bromo-2,4-difluorobenzene
IUPAC: 1-bromo-2,4-difluorobenzene
現地名: 1-ブロモ-2,4-ジフルオロベンゼン
英語名: 1-Bromo-2,4-difluorobenzene
分子式: C6H3BrF2
分子量: 192.99

名称と別名

1-Bromo-2,4-difluorobenzene348-57-2Benzene, 1-bromo-2,4-difluoro-EINECS 206-479-4DTXSID40188336EC 206-479-4RefChem:430182DTXCID70110827206-479-42,4-Difluorobromobenzene1-Bromo-2,4-difluoro-benzeneMFCD00000330

名称をさらに表示

1-ブロモ-2,4-ジフルオロベンゼン2,4-ジフルオロ-1-ブロモベンゼン4-ブロモ-1,3-ジフルオロベンゼン2,4-ジフルオロブロモベンゼン2，4ジフルオロブロモベンゼン1-ブロモ-2,4-ジフルオロベンゼン臭化物1‐ブロモ‐2,4‐ジフルオロベンゼン1,3-ジフルオロ-4-ブロモベンゼンCL1972,4-Difluoro1-Bromo-2,4-difL1-Bromo-2,4-difluoro2,4-difluorobromobezene4-(Trifluoromethylthio)1-Brom-2,4-difluorbenzol2,4-Difluorophenyl bromide

BROMO-2,4-DIFLUOROBENZENE2,4-Difluoro-1-bromobenzene2,4-Difluoro-1-bromobenzene; 2,4-Difluorobromobenzene; 2,4-Difluorophenyl Bromide; 3-Bromo-2,6-difluorobenzene; 4-Bromo-1,3-difluorobenzene2,4-difluoro-bromobenzene2,4-Difluoro bromo benzene1-bromo-2,4-diflurobenzeneSCHEMBL144133-bromo-2,6-difluorobenzene

データベース識別子

CAS: 348-57-2
PubChem CID: 67674
DTXSID: DTXSID40188336
EC Number: 206-479-4
Nikkaji: J149.969F

物性

構造計算による物性

XLogP: 3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 97.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -4 °C · -4 °C (lit.)
沸点: 145 · 145-146 °C (lit.)
比重(密度): 1.708 g/mL · 1.708 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.505(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: 液体
色: 無色透明～褐色
比重: 1.708 · 1.708
PH: 5.02 at · 5.02 at 24℃ and 10g/L
水溶解度: 不溶性
BRN: 1680892 · 1680892
InChI: 1S/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey: MGHBDQZXPCTTIH-UHFFFAOYSA-N
SMILES: Fc1ccc(Br)c(F)c1
CAS データベース: 348 · 348-57-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-bromo-2,4-difluoro-(348-57-2)

化学的性質

化学的特性Clear colorless to brown liqui

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.9% (1 of 113) of reports.

Warning

H226 (95.6%): 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 113 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 01-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15945

1-Bromo-2,4-difluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See p-Bromofluorobenzene.

Hazard Classes and CategoriesFlam. Liq. 3 (95.6%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29036990
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 16-26-36/37/39-37/39-36
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-difluorobenzene has been used in:preparation of (2S)-1-(2,4-difluorophenyl)-2-(1,1-dimethyl-1-sila-ethoxy)-propan-1-oneenantiomeric preparation of the key intermediate of chiral azole antifungal agents by a chemoenzymatic process

一般的な説明1-Bromo-2,4-difluorobenzene undergoes lithiation exclusively at the position having two adjacent halogen substituents, to yield 6-bromo-2,3-difluorobenzoic acid.