트랜스칼콘
Chalcone
기본 정보
- CAS
614-47-1- 표준 SMILES
O=C(/C=C/c1ccccc1)c1ccccc1- InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-N- 분자식
- C15H12O
- 평균 분자량
- 208.25 g/mol
- 단동위원소 질량
- 208.088815
개요
Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of chalcones and a member of styrenes.
이름 및 식별자
- 우선 이름
- Chalcone
- IUPAC
- (E)-1,3-diphenylprop-2-en-1-one
- 현지명
- 트랜스칼콘
- 영어명
- trans-Chalcone
- 분자식
- C15H12O
- 분자량
- 208.26
이름 및 동의어
Chalcone94-41-7BenzalacetophenoneBenzylideneacetophenoneChalkonePhenyl styryl ketoneCinnamophenone1,3-DIPHENYL-2-PROPEN-1-ONE(E)-1,3-diphenylprop-2-en-1-oneStyryl phenyl ketone3-Phenylacrylophenonebeta-Benzoylstyrene
이름 더 보기
트랜스칼콘(E)-CHALCONEcone1,3-DIPHENYL-2-PROPENONE(2E)-1,3-DIPHENYLPROP-2-EN-1-ONE2-Propen-1-one, 1,3-diphenyl-, (E)-
2-Propen-1-one, 1,3-diphenyl-Benzylidene acetophenonebeta-PhenylacrylophenonePhenyl 2-phenylvinyl ketoneBenzylidenecetophenonealpha-Benzylideneacetophenone1,3-diphenylprop-2-en-1-onePhenyl (E)-2-phenylethenyl ketone
데이터베이스 식별자
- CAS
614-47-1、94-41-7- PubChem CID
- 637760
- DTXSID
DTXSID20873536- ChEMBL
CHEMBL7976- ChEBI
CHEBI:27618- UNII
- 5S5A2Q39HX
- EC Number
- 202-330-2、210-383-8
- Nikkaji
- J151.129G、J4.699J
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 242
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Ketones
LogP4.018
Boiling Point346.50 °C. @ 760.00 mm Hg
Melting Point57.5 °C
Vapor Pressure0.000107 [mmHg]
Physical Description
Yellow powder; [Alfa Aesar MSDS]
Solid
물리화학적 성질
- 녹는점
- 55 · 55-59 °C
- 끓는 점
- 208 °C25 · 208 °C25 mm Hg(lit.)
- 밀도
- 1.0712 · 1.0712
- 굴절률
- 1.5361 · 1.5361 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 옅은 노랑
- 냄새
- 100 %에서 · 100.00%에서. 꽃 발삼 허브
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.
Warning
유해성 정보
Regulatory Information
Chemical: 2-Propen-1-one, 1,3-diphenyl-
2-Propen-1-one, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes other liver changes and multiple enzyme effects in acute intraperitoneal studies of mice; Oral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin irritant; [Merck Index] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (86.7%)
안전 데이터
- wgk
- 3
- rtecs
- UD5576750
- HS 번호
- 29143990
- risk_code
- 22-36/37
- hazard_code
- Xn,Xi
- safety_code
- 22-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2STOT SE 3
- 스토리지 클래스
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesNatural aromatic ketone utilized for the biosynthesis of flavones and as a template for bioactive substances known as chalcones; [Merck Index]
General Manufacturing Information2-Propen-1-one, 1,3-diphenyl-: ACTIVE
응용 분야
개요trans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.
용도trans-Chalcone is a positive allosteric modulator of α7 nicotinic acetylcholine receptors and exhibits antioxidant activity.
일반 설명trans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.
제조 방법
trans-Chalcones have been obtained in good yields and selectivities following an environmentally friendly methodology by using montmorillonite KSF as a reusable heterogeneous catalyst.Clay-catalysed solventless synthesis of trans-chalcones
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하류 제품
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