4-Phenylbenzyl chloride (HCID 15463)

概要

structure given in first source

名称と識別子

優先名称: 4-Phenylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-phenylbenzene
現地名: 4-フェニルベンジルクロリド
英語名: 4-(Chloromethyl)biphenyl
分子式: C13H11Cl
分子量: 202.68

名称と別名

4-(Chloromethyl)biphenyl1667-11-44-Chloromethylbiphenyl4-Phenylbenzyl chloride3F1186UU0MNSC-16277RefChem:522002216-786-54-(Chloromethyl)-1,1'-biphenyl1,1'-Biphenyl, 4-(chloromethyl)-4-BIPHENYLMETHYL CHLORIDE1-(chloromethyl)-4-phenylbenzene

名称をさらに表示

4-クロロメチル-1,1'-ビフェニル4-フェニルベンジルクロリド4-(クロロメチル)ビフェニル4-クロロメチル[1,1'-ビフェニル]塩化4-ビフェニルメチル4-フェニルベンジルクロライド4-クロロメチル[1,1′-ビフェニル]4-(クロロメチル)-1,1′-ビフェニル4-(クロロメチル)-1,1'-ビフェニル4-クロロメチル-1,1′-ビフェニル4-Chloromethylbiphenp-phenylbenzylchloride

p-Phenylbenzyl chloride4-CmbBIPHENYL, 4-(CHLOROMETHYL)-MFCD00000917NSC 162774CMB4-(Chloromethyl)-1'-biphenyl4-(chloromethyl)-bipheny

データベース識別子

CAS: 1667-11-4
PubChem CID: 15463
DTXSID: DTXSID6075190
UNII: 3F1186UU0M
EC Number: 216-786-5
Nikkaji: J142B

物性

構造計算による物性

XLogP: 4.7
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: 70 · 70-73 °C (lit.)
沸点: 321.03 °C · 321.03°C (rough estimate)
比重(密度): 1.1339 · 1.1339 (estimate)
屈折率: 1.5945 · 1.5945 (estimate)
貯蔵温度: 2 · Storage temp. 2-8°C
外見: solid
色: White
BRN: 1863327 · 1863327
InChI: InChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey: HLQZCRVEEQKNMS-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(CCl)C=C1
CAS データベース: 1667 · 1667-11-4(CAS DataBase Reference)
NISTの化学物質情報: 4 · Biphenyl, 4-(chloromethyl)-,(1667-11-4)
EPAの化学物質情報: 1 · 1,1'-Biphenyl, 4-(chloromethyl)- (1667-11-4)

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 41 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 CategoriesSkin Irrit. 2 (100%)

安全データ

F: 21
wgk: 3
rtecs: DV2087000
hs_code: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

応用分野 · 2 件

用途有機合成原料。

使用4-(Chloromethyl)biphenyl is an important biphenyl derivative, which has a wide range of applications in medicine, polymer liquid crystal and dyestuff. For example, it can be used to synthesize the non-steroidal anti-inflammatory drugs 4-biphenylacetic acid and fenbufen, and the anti-inflammatory and analgesic drug felbinacethyl.