4-Phenylbenzyl chloride (HCID 15463)

개요

structure given in first source

이름 및 식별자

우선 이름: 4-Phenylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-phenylbenzene
영어명: 4-(Chloromethyl)biphenyl
분자식: C13H11Cl
분자량: 202.68

이름 및 동의어

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

이름 더 보기

4-Chloromethylbiphenp-phenylbenzylchloride

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 70 · 70-73 °C (lit.)
끓는 점: 321.03 °C · 321.03°C (rough estimate)
밀도: 1.1339 · 1.1339 (estimate)
굴절률: 1.5945 · 1.5945 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 고체
색상: 하얀색
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
NIST: 4 · Biphenyl, 4-(chloromethyl)-,(1667-11-4)
EPA: 1 · 1,1'-Biphenyl, 4-(chloromethyl)- (1667-11-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: DV2087000
HS 번호: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
F 고인화성물질: 21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.

응용 분야 · 1건

용도4-(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.