3-(Bromomethyl)biphenyl

HCID 3864405CAS 14704-31-5

기본 정보

표준 SMILES: BrCc1cccc(-c2ccccc2)c1
InChIKey: RTFPTPXBTIUISM-UHFFFAOYSA-N
분자식: C13H11Br
평균 분자량: 247.13 g/mol
단동위원소 질량: 246.00441245

이름 및 식별자

우선 이름: 3-(Bromomethyl)biphenyl
IUPAC: 1-(bromomethyl)-3-phenylbenzene
영어명: 3-(Bromomethyl)biphenyl
분자식: C13H11Br
분자량: 247.13

이름 및 동의어

3-(Bromomethyl)biphenyl14704-31-5DTXSID00397563RefChem:275200DTXCID30348422629-083-73-Phenylbenzyl bromide3-(BROMOMETHYL)-1,1'-BIPHENYL1-(bromomethyl)-3-phenylbenzene3-Bromomethylbiphenyl1,1'-Biphenyl, 3-(bromomethyl)-MFCD03452790

이름 더 보기

3-Phenylbenzyl3-phenylbenzylbromoPhenylbenzyl BromideBifeprunox Impurity 1m-Phenylbenzyl bromidePENTAFLUOROBENZALDEHYDEVenadaparib Impurity 87

3-phenylbenzylbromide3-bromomethyl-biphenyl3-phenyl benzylbromide3-phenyl benzyl bromide3-phenylphenylmethyl bromideSCHEMBL120295AB15479AC-12328

데이터베이스 식별자

CAS: 14704-31-5
PubChem CID: 3864405
DTXSID: DTXSID00397563
EC Number: 629-083-7
Nikkaji: J1.979.900J

물성

구조 계산 물성

XLogP: 4.1
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: 161

물리화학적 성질

녹는점: 57 · 57-61 °C
끓는 점: 185 °C/12mm · 185°C/12mm
밀도: 1.341 · 1.341±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
색상: 갈색을 띤 노란색
InChI: InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2
InChIKey: RTFPTPXBTIUISM-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=CC(CBr)=C1

화학적 성질

offwhite to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, 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

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 22-34-50/53-36/37/38
hazard_code: C,N,Xi
safety_code: 26-36/37/39-45-60-61-37/39
위험 등급: IRRITANT, LACHRYMATOR, CORROSIVE
기존화학 물질: 2004-3-2971
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3-Phenylbenzyl bromide may be used in the synthesis of the following amino alcohols:NH-benzyl-(1R,2S)-norephedrineNH-3-phenylbenzyl-(1R,2S)-norephedrine(1R,2S)-2-(benzylamino)-1,2-diphenylethanol