벤질페닐케톤

2-Phenylacetophenone

HCID 178804659CAS 13892-81-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cc1ccccc1)c1ccccc1
InChIKey: OTKCEEWUXHVZQI-UHFFFAOYSA-N
분자식: C14H12O
평균 분자량: 196.24 g/mol

개요

structure in first source

이름 및 식별자

우선 이름: 2-Phenylacetophenone
IUPAC: 1,2-diphenylethanone
현지명: 벤질페닐케톤
영어명: Benzyl phenyl ketone
분자식: C16H14O2
분자량: 238.28

이름 및 동의어

Deoxybenzoin2-Phenylacetophenone451-40-1Benzyl phenyl ketoneEthanone, 1,2-diphenyl-DESOXYBENZOINPhenyl benzyl ketoneF17V6C9PZXNSC-131456RefChem:131924207-193-21,2-Diphenylethanone

이름 더 보기

벤질페닐케톤Benayl Phenyl KetoneBenzenemethanol, α-(phenylmethylene)-, 1-acetate, (αZ)-

1,2-Diphenylethan-1-oneAcetophenone, 2-phenyl-Benzoin, deoxy-MFCD000030811,2-diphenyl-ethanonedeoxy benzoinbenzylphenylketoneBzBn

데이터베이스 식별자

CAS: 13892-81-4
ChEMBL: CHEMBL3182695
UNII: F17V6C9PZX
EC Number: 207-193-2
Nikkaji: J5.751G

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 197

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

LogP3.18

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 100 · 100-100.5 °C(Solv: methanol (67-56-1))
끓는 점: 346 · 346.0±31.0 °C(Predicted)
밀도: 1.121 · 1.121±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanone, 1,2-diphenyl-

Status: Active Update: 27-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18186

Ethanone, 1,2-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 320 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzoin and Hydrobenzoin.

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1,2-diphenyl-: ACTIVE

공급사1 곳

杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

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