Chalcone (HCID 637760)

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 Å²
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

LogP4.018

Boiling Point346.50 °C. @ 760.00 mm Hg

Melting Point57.5 °C

Vapor Pressure0.000107 [mmHg]

Physical Description · 2건

Yellow powder; [Alfa Aesar MSDS]

Solid

Kovats Retention Index1970.6

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
냄새 유형: 꽃향기
수용성: 클로로포름, 에테르, 벤젠, 에탄올(약간 용해됨)에 용해됩니다. 물에 불용성.
Merck: 14 · 14,2037
BRN: 509985 · 509985
InChI: 1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N
SMILES: [H]\C(=C(\[H])C(=O)c1ccccc1)c2ccccc2
LogP: 4.013 · 4.013 (est)
NIST: Benzalacetophenone(614-47-1)

화학적 성질

Trans-Chalcone is a yellowish crystals. M.P. 58℃. (trans-isomer). M .P. 46℃. (cis-isomer).Sp.Gr. 1.07 (liquid).Insoluble in water, soluble in alcohol (poorly) and oils.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.

유해성 정보

Regulatory Information · 2건

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 · 1건

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 · 2건

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Acute Tox. 4 (86.7%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (86.7%)

규제 정보

Regulatory Information · 2건

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

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: 11 - Combustible Solids

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 · 3건

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

상·하류 제품 정보

상류 원료

하류 제품

α-Naphthoflavone 칼콘 3,5-디페닐피라졸 3-페닐-1-인다논 2,4,6-트리페닐피리딘 1,3,5-트리페닐벤젠 beta-Phenylpropiophenone N'-(1,3-diphenyl-2-propen-1-ylidene)benzohydrazide

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

上海伟聂化工科技有限公司13046668259 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

연결된 노트

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트랜스칼콘

기본 정보