2-Phenylacetophenone

HCID 178804659

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基本情報

CAS: 13892-81-4
標準SMILES: O=C(Cc1ccccc1)c1ccccc1
InChIKey: OTKCEEWUXHVZQI-UHFFFAOYSA-N
分子式: C14H12O
平均分子量: 196.24 g/mol

概要

structure in first source

名称と識別子

優先名称: 2-Phenylacetophenone
IUPAC: 1,2-diphenylethanone
英語名: Benzyl phenyl ketone
分子式: C16H14O2
分子量: 238.28

名称と別名

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

名称をさらに表示

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

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 197

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

LogP3.18

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 100 · 100-100.5 °C(Solv: methanol (67-56-1))
沸点: 346 · 346.0±31.0 °C(Predicted)
比重(密度): 1.121 · 1.121±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

化学と産業

用途と製造

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

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