CAS 2567-29-5 1,1'-Biphenyl, 4-(bromomethyl)- (HCID 257716)

基本情報

CAS: 2567-29-5
標準SMILES: BrCc1ccc(-c2ccccc2)cc1
InChIKey: HZQLUIZFUXNFHK-UHFFFAOYSA-N
分子式: C13H11Br
平均分子量: 247.13 g/mol
単同位体質量: 246.00441245

名称と識別子

優先名称: 1,1'-Biphenyl, 4-(bromomethyl)-
IUPAC: 1-(bromomethyl)-4-phenylbenzene
現地名: 4-ブロモメチルビフェニル
英語名: 4-Bromomethylbiphenyl
分子式: C13H11Br
分子量: 247.13

名称と別名

1,1'-Biphenyl, 4-(bromomethyl)-RefChem:409191663-894-72567-29-54-Bromomethylbiphenyl4-(bromomethyl)biphenyl4-(BROMOMETHYL)-1,1'-BIPHENYL1-(bromomethyl)-4-phenylbenzene4-Phenylbenzyl Bromide4-(Bromomethyl)-biphenyl4-BiphenylmethylbromideBromoethylbiphenyl

名称をさらに表示

4-ブロモメチルビフェニル4‐（ブロモメチル）ビフェニル4-フェニルベンジルブロミド4-(ブロモメチル)ビフェニル4-(ブロモメチル)-1,1′-ビフェニル4-(ブロモメチル)-1,1'-ビフェニルNSC 861434-bromethylbiphenyl4-BromoethylbiphenylBromoethylbiphenyl 98%

MFCD000178694-bromomethyl-biphenylp-phenylbenzyl bromide4-BIPHENYLYLMETHYL BROMIDENSC861434-phenylbenzylbromide4-biphenylmethyl bromide4-phenyl benzyl bromide

データベース識別子

CAS: 2567-29-5
PubChem CID: 257716
DTXSID: DTXSID40292866
EC Number: 663-894-7
Nikkaji: J856.762J

物性

構造計算による物性

XLogP: 4.8
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: 2
重原子数: 14
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 83 · 83-86 °C
沸点: 140 °C · 140 °C / 10mmHg
比重(密度): 1.341 · 1.341±0.06 g/cm3(Predicted)
闪点: 110 ℃ · >110℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール
外見: 粉
色: 淡い黄色からベージュ
InChI: InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey: HZQLUIZFUXNFHK-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(CBr)C=C1
CAS データベース: 2567 · 2567-29-5(CAS DataBase Reference)

化学的性質

化学的特性Pale yellow to beige powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

Regulatory Information1,1'-Biphenyl, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

安全データ

ridadr: 3261
hs_code: 29029090
risk_code: 36/37/38-34
hazard_code: Xi
safety_code: 37/39-26-45-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用4-(Bromomethyl)biphenyl is a biphenyl derivative used in the preparation of various pharmaceutical compounds such as protein tyrosine phosphatase 1B inhibitors. 4-(Bromomethyl)biphenyl is useful as as atom transfer radical polymerization initiator.