4-Hydroxychalcone

HCID 5282361
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기본 정보

CAS
20426-12-4
표준 SMILES
O=C(/C=C/c1ccc(O)cc1)c1ccccc1
InChIKey
PWWCDTYUYPOAIU-DHZHZOJOSA-N
분자식
C15H12O2
평균 분자량
224.25 g/mol
단동위원소 질량
224.08372962

개요

4-hydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. It has a role as an antihypertensive agent and a plant metabolite. It is a member of chalcones and a member of phenols. It is functionally related to a trans-chalcone.

이름 및 식별자

우선 이름
4-Hydroxychalcone
IUPAC
(E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
영어명
(E)-3-(4-hydroxyphenyl)-1-phenyl-prop-2-en-1-one
분자식
C15H12O2
분자량
224.25

이름 및 동의어

4-Hydroxychalcone20426-12-4(2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-(E)-3-(4-hydroxyphenyl)-1-phenyl-prop-2-en-1-oneJO97Q47VBUDTXSID3022453NSC-170282CHEBI:34423NSC-60593RefChem:524024DTXCID702453
이름 더 보기
2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-, (2E)-
622-377-638239-55-34-hydroxy chalcone(E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-oneTRANS-4-HYDROXYCHALCONE(E)-4-Hydroxychalcone4-hydroxy-chalcone2-(4-Hydroxybenzal)acetophenone

데이터베이스 식별자

CAS
20426-12-4、38239-55-3
PubChem CID
5282361
DTXSID
DTXSID3022453
ChEMBL
CHEMBL7747
ChEBI
CHEBI:34423
UNII
JO97Q47VBU
EC Number
622-377-6
Nikkaji
J124.941J、J919.421E

물성

구조 계산 물성

XLogP
2.7
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
17

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure
Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
185 °C · 185 °C
끓는 점
394.9 · 394.9±34.0 °C(Predicted)
밀도
1.191 · 1.191±0.06 g/cm3(Predicted)
산도 계수 (pKa)
9.76 · 9.76±0.26(Predicted)
물리적 상태
powder to crystal
색상
Light yellow to Amber to Dark green

안전 및 규제

GHS 분류

GHS Classification · 4건

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호
2914.50.3000

화학 및 산업

약리 정보

Metabolism/Metabolites4-Hydroxychalcone has known human metabolites that include 4-Hydroxychalcone, 4-hydroxy-glucuronide.

공급사12 곳

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
TCI AMERICA800-4238616 · [email protected]

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