4-브로모메틸비페닐

1,1'-Biphenyl, 4-(bromomethyl)-

HCID 257716

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2567-29-5
표준 SMILES: BrCc1ccc(-c2ccccc2)cc1
InChIKey: HZQLUIZFUXNFHK-UHFFFAOYSA-N
분자식: C13H11Br
평균 분자량: 247.13 g/mol
단동위원소 질량: 246.00441245

이름 및 식별자

우선 이름: 1,1'-Biphenyl, 4-(bromomethyl)-
IUPAC: 1-(bromomethyl)-4-phenylbenzene
현지명: 4-브로모메틸비페닐
영어명: 4-Bromomethylbiphenyl
분자식: C13H11Br
분자량: 247.13

이름 및 동의어

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

이름 더 보기

4-브로모메틸비페닐NSC 861434-bromethylbiphenyl4-BromoethylbiphenylBromoethylbiphenyl 98%

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.8
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: 83 · 83-86 °C
끓는 점: 140 °C · 140 °C / 10mmHg
밀도: 1.341 · 1.341±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 가루
색상: 연한 노란색~베이지색
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

화학적 성질

Pale yellow to beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

ridadr: 3261
HS 번호: 29029090
risk_code: 36/37/38-34
hazard_code: Xi
safety_code: 37/39-26-45-36/37/39
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도4-(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.