CHALCONEALPHA,베타에폭시

Chalcone epoxide

HCID 92219CAS 5411-12-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccccc1)C1OC1c1ccccc1
InChIKey: UQGMJZQVDNZRKT-UHFFFAOYSA-N
분자식: C15H12O2
평균 분자량: 224.25 g/mol
단동위원소 질량: 224.08372962

개요

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

이름 및 식별자

우선 이름: Chalcone epoxide
IUPAC: phenyl-(3-phenyloxiran-2-yl)methanone
현지명: CHALCONEALPHA,베타에폭시
영어명: Chalcone alpha,beta-epoxide
분자식: C15H12O2
분자량: 224.25

이름 및 동의어

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

이름 더 보기

CHALCONEALPHA,베타에폭시Chalcone 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 29.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 275

물리화학적 성질

녹는점: 88 · 88-90°C
끓는 점: 374.1 · 374.1±42.0 °C(Predicted)
밀도: 1.209 · 1.209±0.06 g/cm3(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 164553 · 164553

안전 및 규제

GHS 분류

GHS Classification · 4건

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.