CAS 110407-59-5 1-Bromo-2-chloro-4-fluorobenzene (HCID 2733406)

基本情報

CAS: 110407-59-5
標準SMILES: Fc1ccc(Br)c(Cl)c1
InChIKey: LEFQPBAWVJEIJS-UHFFFAOYSA-N
分子式: C6H3BrClF
平均分子量: 209.44 g/mol
単同位体質量: 207.9090681

名称と識別子

優先名称: 1-Bromo-2-chloro-4-fluorobenzene
IUPAC: 1-bromo-2-chloro-4-fluorobenzene
現地名: 1-ブロモ-2-クロロ-4-フルオロベンゼン
英語名: 1-Bromo-2-chloro-4-fluorobenzene
分子式: C6H3BrClF
分子量: 209.44

名称と別名

1-Bromo-2-chloro-4-fluorobenzene110407-59-5DTXSID70369898RefChem:228379DTXCID20320934670-803-42-chloro-4-fluorobromobenzene4-Bromo-3-chloro-1-fluorobenzene1-bromo-2-chloro-4-fluoro-benzeneMFCD001425874-BROMO-3-CHLOROFLUOROBENZENEBenzene, 1-bromo-2-chloro-4-fluoro-

名称をさらに表示

1-ブロモ-2-クロロ-4-フルオロベンゼン1‐ブロモ‐2‐クロロ‐4‐フルオロベンゼン1-Bromo-2-chloro-4-f2-chloro-4-fluorobroMobezene2-Bromo-5-fluorochlorobenzene3-Chloro-4-bromofluorobenzene1-BROMO-2-CHLORO-4-FLUOROBENZE2-Chloro-4-fluorobromobenzene 98+%

SCHEMBL2196611-bromo-4-fluoro-2-chlorobenzeneAKOS015835266SY0011972-chloro-4-fFT-0642702SCHEMBL261585SCHEMBL2461686

データベース識別子

CAS: 110407-59-5
PubChem CID: 2733406
DTXSID: DTXSID70369898
EC Number: 670-803-4
Nikkaji: J3.060.191B

物性

構造計算による物性

XLogP: 3.3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99.1

物理化学的性質

沸点: 62 · 62-62.8 °C(Press: 12 Torr)
比重(密度): 1.75 · 1.75
屈折率: 1.5525 · 1.5525
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
InChI: InChI=1S/C6H3BrClF/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey: LEFQPBAWVJEIJS-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(F)C=C1Cl
CAS データベース: 110407 · 110407-59-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 8 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: WGK 3
hs_code: 29039990
risk_code: 36/37/38-36-22
消防法: 危-4-3-III
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用1-Bromo-2-chloro-4-fluorobenzene is a component of polyhalogenated benzenes and has a wide range of applications in organic synthesis, medicinal chemistry, and biochemical research.