查耳酮ALPHA环氧化物

Chalcone epoxide

HCID 92219CAS 5411-12-1

子结构检索查找相似结构

基本信息

标准SMILES: O=C(c1ccccc1)C1OC1c1ccccc1
InChIKey: UQGMJZQVDNZRKT-UHFFFAOYSA-N
分子式: C15H12O2
平均分子量: 224.25 g/mol
单同位素质量: 224.08372962

概述

activator of epoxide hydrolase; RN given refers to cpd without isomeric designation; structure given in first source

名称与标识

首选名称: Chalcone epoxide
IUPAC: phenyl-(3-phenyloxiran-2-yl)methanone
中文名: 查耳酮ALPHA环氧化物
英文名: Chalcone alpha,beta-epoxide
分子式: C15H12O2
分子量: 224.25

名称与别名

5411-12-1Chalcone epoxideDTXSID40968993RefChem:575423DTXCID30893381226-487-12-benzoyl-3-phenyloxirane1,3-Diphenyl-2,3-epoxy-1-propanoneChalcone oxidephenyl(3-phenyloxiran-2-yl)methanonephenyl-(3-phenyloxiran-2-yl)methanoneCHALCONE alpha,beta-EPOXIDE

展开更多名称

查耳酮Α查耳酮Α环氧化物查耳酮Α,Β环氧化物查耳酮Α, Β环氧化物查耳酮ALPHA环氧化物CHALCONE环氧化物查耳酮Α,Β环氧化物,98%苯基(3-苯基环氧乙烷-2-基)甲酮1,3-二苯基-2,3-环氧-1-丙酮Chalcone trans-alpha,beta-epoxideCHALCONE ALPHA,SS-EPOXIDEChalcone ɑ,β-epoxide, 98%chalcone à,á-epoxideChalcone α,β-epoxideCHALCONE-ALPHA,B-EPOXIDE3-Phenyl-2-benzoyloxiraneChalconealpha,~-epoxide,98%

7570-86-7Methanone, phenyl(3-phenyloxiranyl)-, trans-MFCD00022336Phenyl (3-phenyloxiranyl) ketoneNSC10919Methanone, phenyl(3-phenyloxiranyl)-NSC-10919Chalcone trans-.alpha.,.beta.-epoxide

数据库标识

CAS: 5411-12-1、7570-86-7
PubChem CID: 92219
DTXSID: DTXSID40968993
ChEMBL: CHEMBL1733373
EC Number: 226-487-1
Nikkaji: J217.980F

性质

结构计算性质

XLogP: 2.8
极性表面积: 29.6 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 275

物理化学性质

熔点: 88 · 88-90°C
沸点: 374.1 · 374.1±42.0 °C(Predicted)
密度: 1.209 · 1.209±0.06 g/cm3(Predicted)
形态: powder to crystal
颜色: White to Almost white
BRN: 164553 · 164553
CAS 数据库: 5411 · 5411-12-1(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.