1-Bromo-2,4-dichlorobenzene (HCID 70947)

名称と識別子

優先名称: 1-Bromo-2,4-dichlorobenzene
IUPAC: 1-bromo-2,4-dichlorobenzene
現地名: 1-ブロモ-2,4-ジクロロベンゼン
英語名: 1-Bromo-2,4-dichlorobenzene
分子式: C6H3BrCl2
分子量: 225.9

名称と別名

1-Bromo-2,4-dichlorobenzene1193-72-2EINECS 214-778-6ISHYFWKKWKXXPL-UHFFFAOYSA-DTXSID10152408NSC 158360RefChem:75040DTXCID0074899214-778-6InChI=1/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3HISHYFWKKWKXXPL-UHFFFAOYSA-N2,4-dichlorobromobenzene

名称をさらに表示

1-ブロモ-2,4-ジクロロベンゼン2,4-ジクロロブロモベンゼン1-Bromo-2,4-dichiorobenzeneBROMO(2-)-4-DICHLOROBENZENE1-Bromo-2,4-dichlorobenzene >1-Bromo-2,4-dichlorobenzene,99%1-Bromo-2,4-dichlorobenzene, 98+%1-BroMo-2,4-dichiorobenzene, 98%, 98%

Benzene, 1-bromo-2,4-dichloro-MFCD000183331-bromo-2,4-dichloro-benzene2,4-dichloro-1-bromobenzene4-Bromo-1,3-dichlorobenzeneNSC-158360PB47597B2187

データベース識別子

CAS: 1193-72-2
PubChem CID: 70947
DTXSID: DTXSID10152408
UNII: 2Z4G4Z84UU
EC Number: 214-778-6
Nikkaji: J31.738A

物性

構造計算による物性

XLogP: 4.1
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
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

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 26 · 26-30 °C(lit.)
沸点: 235 °C · 235°C
比重(密度): 1 · 1,89 g/cm3
屈折率: 1.57 · 1.5700 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to lump to clear liquid
色: White or Colorless to Light yellow
水溶解度: 水にわずかに溶ける。
BRN: 1635733 · 1635733
InChI: InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey: ISHYFWKKWKXXPL-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(Cl)C=C1Cl
CAS データベース: 1193 · 1193-72-2(CAS DataBase Reference)

化学的性質

化学的特性colorless to light yellow crystalline mass or

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28291

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

安全データ

wgk: 3
ridadr: UN 2810 6.1/PG 1
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT

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-dichlorobenzene is used to produce 2,4,4'-trichloro-biphenyl. This reaction will need aq. Na2CO3 and solvents dioxane, ethanol. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

一般的な説明1-Bromo-2,4-dichlorobenzene is an aryl halide. It can be distinguished from the other bromodichlorobenzene isomers using IR and Raman spectral data. It can undergo Suzuki–Miyaura cross-coupling reaction with arylboronic acids in the presence of different Suzuki catalysts.