5-ブロモ-2-フルオロ-m-キシレン

5-Bromo-2-fluoro-1,3-dimethylbenzene

HCID 2736298CAS 99725-44-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(Br)cc(C)c1F
InChIKey: ZXPHUVHMBKRRJF-UHFFFAOYSA-N
分子式: C8H8BrF
平均分子量: 203.05 g/mol
単同位体質量: 201.97934058

名称と識別子

優先名称: 5-Bromo-2-fluoro-1,3-dimethylbenzene
IUPAC: 5-bromo-2-fluoro-1,3-dimethylbenzene
現地名: 5-ブロモ-2-フルオロ-m-キシレン
英語名: 5-Bromo-2-fluoro-m-xylene
分子式: C8H8BrF
分子量: 203.05

名称と別名

99725-44-75-bromo-2-fluoro-1,3-dimethylbenzeneDTXSID90371256RefChem:533184DTXCID60322290671-133-55-Bromo-2-Fluoro-M-Xylene4-bromo-2,6-dimethylfluorobenzene5-bromo-2-fluoro-1,3-dimethyl-benzeneMFCD01320701Benzene, 5-bromo-2-fluoro-1,3-dimethyl-1-Bromo-4-fluoro-3,5-dimethylbenzene

名称をさらに表示

5-ブロモ-2-フルオロ-m-キシレン5-ブロモ-2-フルオロ-1,3-ジメチルベンゼン4-Bromo-2,6-dimethylfluorobenzene 99%5-Bromo-2-fluoro-m-xyene5-Bromo-2-fluoro-1,3-xylene5-Bromo-2-fluoro-m-xylene >5-Bromo-2-fluoro-m-xylene

SCHEMBL1144875CS-B08585-bromo-2-fluoro-3-xyleneSY030457TS-00346EN300-999093,5-Dimethyl-4-fluorobromobenzeneAM62516

データベース識別子

CAS: 99725-44-7
PubChem CID: 2736298
DTXSID: DTXSID90371256
EC Number: 671-133-5

物性

構造計算による物性

XLogP: 3.4
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: 10
形式電荷: 0
複雑度: 104

物理化学的性質

沸点: 95 °C · 95 °C
比重(密度): 1 · 1,45 g/cm3
屈折率: 1.527 to · 1.5270 to 1.5320
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
InChI: InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey: ZXPHUVHMBKRRJF-UHFFFAOYSA-N
SMILES: C1(C)=CC(Br)=CC(C)=C1F
CAS データベース: 99725 · 99725-44-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (12.5%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 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 CategoriesFlam. Liq. 4 (12.5%)

安全データ

hs_code: 2903998090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

応用分野 · 1 件

使用5-Bromo-2-fluoro-m-xylene is an aromatic halide compound. Its chemical properties are mainly concentrated on the bromine atom on its benzene ring. It can be used to prepare Grignard reagents and aromatic boron compounds. In addition, this substance can undergo cross-coupling reactions with metal-organic reagents under the catalysis of transition metals and can be used to prepare polysubstituted fluorobenzene organic molecules.