3-페닐벤조일메티드

1-((1,1'-Biphenyl)-3-yl)ethan-1-one

HCID 258568CAS 3112-01-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cccc(-c2ccccc2)c1
InChIKey: HUHQPWCDGRZWMH-UHFFFAOYSA-N
분자식: C14H12O
평균 분자량: 196.24 g/mol
단동위원소 질량: 196.088815

이름 및 식별자

우선 이름: 1-((1,1'-Biphenyl)-3-yl)ethan-1-one
IUPAC: 1-(3-phenylphenyl)ethanone
현지명: 3-페닐벤조일메티드
영어명: 3-Acetylbiphenyl
분자식: C14H12O
분자량: 196.24

이름 및 동의어

1-{[1,1'-biphenyl]-3-yl}ethan-1-oneDTXSID509532191-([1,1'-Biphenyl]-3-yl)ethan-1-one1-((1,1'-Biphenyl)-3-yl)ethan-1-oneRefChem:1053617DTXCID9013812763-ACETYLBIPHENYL3112-01-41-([1,1'-BIPHENYL]-3-YL)ETHANONE3-phenylbenzoylmethide1-(3-phenylphenyl)ethanone1-Biphenyl-3-yl-ethanone

이름 더 보기

3-페닐벤조일메티드3-PHENYLACETOPHENONE1-(3-Biphenylyl)ethanoneEthanone, 1-[1,1'-biphenyl]-3-yl1-([1,1'-biphenyl]-3-yl)ethylone1-([1,1'-Biphenyl]-3-yl)ethanone - [B92443]

1-(biphenyl-3-yl)ethanoneEthanone, 1-[1,1'-biphenyl]-3-yl-MFCD000482203-phenylbenzoyl methide3-Acetylbiphenyl, AldrichCPR1-(1,1'-biphenyl-3-yl)ethanoneAB91457AS-10738

데이터베이스 식별자

CAS: 3112-01-4
PubChem CID: 258568
DTXSID: DTXSID50953219
EC Number: 889-804-8
Nikkaji: J80.639K

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 36 °C · 36 °C
끓는 점: 137 · 137-138 °C(Press: 1 Torr)
밀도: 1.053 · 1.053±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C14H12O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey: HUHQPWCDGRZWMH-UHFFFAOYSA-N
SMILES: C(=O)(C1C=CC=C(C2=CC=CC=C2)C=1)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.