CAS 68220-26-8 2-Chloro-6-fluorobenzyl bromide (HCID 2773625)

基本情報

CAS: 68220-26-8
標準SMILES: Fc1cccc(Cl)c1CBr
InChIKey: IGUVNNXFTDCASP-UHFFFAOYSA-N
分子式: C7H5BrClF
平均分子量: 223.47 g/mol
単同位体質量: 221.92471816

名称と識別子

優先名称: 2-Chloro-6-fluorobenzyl bromide
IUPAC: 2-(bromomethyl)-1-chloro-3-fluorobenzene
現地名: 2-クロロ-6-フルオロベンジルブロミド
英語名: 2-Chloro-6-fluorobenzyl bromide
分子式: C7H5BrClF
分子量: 223.47

名称と別名

2-Chloro-6-fluorobenzyl bromide68220-26-8Benzene, 2-(bromomethyl)-1-chloro-3-fluoro-DTXSID70378602RefChem:469636DTXCID20329629626-511-42-(bromomethyl)-1-chloro-3-fluorobenzeneMFCD000401262-bromomethyl-1-chloro-3-fluoro-benzene2-(bromomethyl)-1-chloro-3-fluoro-benzene2-(bromomethyl)-3-chloro-1-fluorobenzene

名称をさらに表示

2-クロロ-6-フルオロベンジルブロミド1-(ブロモメチル)-2-クロロ-6-フルオロベンゼン1‐（ブロモメチル）‐2‐クロロ‐6‐フルオロベンゼン2-(ブロモメチル)-1-クロロ-3-フルオロベンゼン2-クロロ-6-フルオロベンジル=ブロミド2-Chloro-6-Florobenzyl Bromideà-bromo-2-chloro-6-fluorotolueneA-BROMO-2-CHLORO-6-FLUOROTOLUENE2-Chloro-6-fluorobenzyl Bromide >2-Chloro-6-fluorobenzyl bromide 97%ALPHA-BROMO-2-CHLORO-6-FLUOROTOLUENE2-Chloro-6-fluorobenzyl bromide, 97+%1-(Bromomethyl)-2-chloro-6-fluorobenzene

SCHEMBL4706SCHEMBL297131442-chloro-6-fluoro-benzyl bromideSBB070820AKOS000446900CS-W0142291-bromomethyl-2-chloro-6-fluorobenzene2-bromomethyl-1-chloro-3-fluorobenzene

データベース識別子

CAS: 68220-26-8
PubChem CID: 2773625
DTXSID: DTXSID70378602
EC Number: 626-511-4
Nikkaji: J308.932K

物性

構造計算による物性

XLogP: 3.2
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: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 222 · 222.0±25.0 °C(Predicted)
比重(密度): 1.629 g/mL · 1.629 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.568(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 液体
色: 無色～黄色
InChI: 1S/C7H5BrClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: IGUVNNXFTDCASP-UHFFFAOYSA-N
SMILES: Fc1cccc(Cl)c1CBr
CAS データベース: 68220 · 68220-26-8(CAS DataBase Reference)

化学的性質

化学的特性Colorless to dark yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (14.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, 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 InformationBenzene, 2-(bromomethyl)-1-chloro-3-fluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (14.9%)

安全データ

wgk: 3
ridadr: 3265
hs_code: 29039990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi,C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37-37/39
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用2-Chloro-6-fluorobenzyl bromide [2-(bromomethyl)-1-chloro-3-fluorobenzene] may be used in the synthesis of 4-chlorobenzoimidazo[1,2-a][3,1]benzothiazine.