4-乙酰基联苄

1-(4-(2-Phenylethyl)phenyl)ethan-1-one

HCID 69918

笔记反应

子结构检索查找相似结构

基本信息

CAS: 785-78-4
标准SMILES: CC(=O)c1ccc(CCc2ccccc2)cc1
InChIKey: KIRXEYNVGWVPRO-UHFFFAOYSA-N
分子式: C16H16O
平均分子量: 224.3 g/mol
单同位素质量: 224.12011513

名称与标识

首选名称: 1-(4-(2-Phenylethyl)phenyl)ethan-1-one
IUPAC: 1-[4-(2-phenylethyl)phenyl]ethanone
中文名: 4-乙酰基联苄
英文名: 4-Acetylbibenzyl
分子式: C16H16O
分子量: 224.3

名称与别名

4-Acetylbibenzyl785-78-41-[4-(2-Phenylethyl)phenyl]ethanone1-[4-(2-phenylethyl)phenyl]ethan-1-one1-(4-(2-Phenylethyl)phenyl)ethan-1-oneCW3P2K55C8Ethanone, 1-[4-(2-phenylethyl)phenyl]-EINECS 212-323-6Ethanone, 1-(4-(2-phenylethyl)phenyl)-DTXSID902291271-(4-(2-PHENYLETHYL)PHENYL)ETHANONERefChem:424308

展开更多名称

4-乙酰联苄4-乙酰基联苄1-(4-苯乙基苯基)乙烷-1-酮4-ACETYLBIBENZYL(WXG02447)1-(4-Acetylphenyl)-2-phenylethane1-[4-methyl-3-(2-methylphenyl)phenyl]ethanone

DTXCID10151618212-323-61-(4-phenethylphenyl)ethanone4'-phenethylacetophenone1-(4-Phenethylphenyl)ethan-1-oneMFCD00070637UNII-CW3P2K55C84-acetylbibenzyl, AldrichCPR

数据库标识

CAS: 785-78-4
PubChem CID: 69918
DTXSID: DTXSID90229127
UNII: CW3P2K55C8
EC Number: 212-323-6
Nikkaji: J193.177F

性质

结构计算性质

XLogP: 3.8
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 232

物理化学性质

熔点: 68 °C · 68 °C
形态: solid
InChI: 1S/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
InChIKey: KIRXEYNVGWVPRO-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(CCc2ccccc2)cc1

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationChemical: Ethanone, 1-[4-(2-phenylethyl)phenyl]-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: WGK 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
海关编码: 2912290090

化学与工业

供应商14 家

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

化合物笔记

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