1-ブロモ-2,5-ジクロロベンゼン

2-Bromo-1,4-dichlorobenzene

HCID 15033CAS 1435-50-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1ccc(Cl)c(Br)c1
InChIKey: OVXVQBCRONSPDC-UHFFFAOYSA-N
分子式: C6H3BrCl2
平均分子量: 225.89 g/mol
単同位体質量: 223.87952

名称と識別子

優先名称: 2-Bromo-1,4-dichlorobenzene
IUPAC: 2-bromo-1,4-dichlorobenzene
現地名: 1-ブロモ-2,5-ジクロロベンゼン
英語名: 2-Bromo-1,4-dichlorobenzene
分子式: C6H3BrCl2
分子量: 225.9

名称と別名

2-BROMO-1,4-DICHLOROBENZENE1435-50-3RefChem:1062420215-859-91-Bromo-2,5-dichlorobenzeneBenzene, 2-bromo-1,4-dichloro-2,5-dichlorobromobenzene2-bromo-1,4-dichloro-benzeneMFCD00018505Benzene, 1-bromo-2,5-dichloro-2-Bromo-1,4-dichlorobenzene, 97%AKOS000121086

名称をさらに表示

1-ブロモ-2,5-ジクロロベンゼン2-ブロモ-1,4-ジクロロベンゼン2,5-ジクロロフェニルブロミド1‐ブロモ‐2,5‐ジクロロベンゼン2,5-ジクロロブロモベンゼン2-Bromo-1,4-dichloro2,5-Dichlorobeomobenzene2,5-Dichlorophenyl bromide1-Bromo-2,5-dichlorobenzene,99%1-Bromo-2,5-dichlorobenzene >

B09812,5-Dichlorobromobenzene 1-Bromo-2,5-dichlorobenzeneEINECS 215-859-9FT-0611365A8080862,5-dichloro-1-bromobenzeneSCHEMBL458721SCHEMBL504938

データベース識別子

CAS: 1435-50-3、68583-99-3
PubChem CID: 15033
DTXSID: DTXSID7075185
EC Number: 215-859-9
Nikkaji: J31.737C

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

物理化学的性質

融点: 32 · 32-36 °C(lit.)
沸点: 118 · 118-120°C 20mm
比重(密度): 1.6351 · 1.6351 (rough estimate)
屈折率: 1.57 · 1.5700 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to lump to clear liquid
色: White or Colorless to Light orange to Yellow
水溶解度: 不溶性
BRN: 1934815 · 1934815
InChI: InChI=1S/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey: OVXVQBCRONSPDC-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(Cl)C=C1Br
CAS データベース: 1435 · 1435-50-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzene, 2-bromo-1,4-dichloro-(1435-50-3)
EPAの化学物質情報: 2 · Benzene, 2-bromo-1,4-dichloro- (1435-50-3)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.