기본 정보
- CAS
19484-57-2- 표준 SMILES
O=c1cc(O)c2cc(Cl)ccc2o1- InChIKey
HUMZENGQNOATEQ-UHFFFAOYSA-N- 분자식
- C9H5ClO3
- 평균 분자량
- 196.58 g/mol
- 단동위원소 질량
- 195.9927217
개요
6-chloro-4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which a hydroxy group replaces the hydrogen at position 4 and a chloro substituent replaces the hydrogen at position 6. It is an organochlorine compound and a hydroxycoumarin.
이름 및 식별자
- 우선 이름
- 6-Chloro-4-hydroxycoumarin
- IUPAC
- 6-chloro-4-hydroxychromen-2-one
- 영어명
- 6-Chloro-4-hydroxycoumarin
- 분자식
- C9H5ClO3
- 분자량
- 196.59
이름 및 동의어
6-Chloro-4-hydroxycoumarin6-chloro-4-hydroxy-2H-chromen-2-one6-chloro-4-hydroxychromen-2-one4-hydroxy-6-chlorocoumarinCHEBI:1374024-hydroxy-6-chloro-2H-chromen-2-oneRefChem:541710625-515-319484-57-26-Chloro-4-hydroxy-chromen-2-oneMFCD002393996-Chloro-4-hydroxy-2H-1-Benzopyran-2-one
이름 더 보기
6-Chloro-4-methylcoumarin6-Chloro-4-hydroxycoumarin >6-Chloro-4-hydroxycoumarin,97%6-CHLORO-4-HYDROXYCOUMARIN 97%4-Hydroxy-6-chloro-2H-1-benzopyran-2-one
6-Chlor-4-oxy-cumarin6-Chloro-4-hydroxycumarine6-Chloro-4-hydroxycoumarin, 97%AKOS0159002002H-1-Benzopyran-2-one,6-chloro-4-hydroxy-Epitope ID:613409A18387AURORA KA-6040
데이터베이스 식별자
- CAS
19484-57-2- PubChem CID
- 54686348
- DTXSID
DTXSID80715781- ChEMBL
CHEMBL3985661- ChEBI
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 262
물리화학적 성질
- 녹는점
- 291 °C · 291 °C (dec.) (lit.)
- 끓는 점
- 392.6 · 392.6±42.0 °C(Predicted)
- 밀도
- 1.585 · 1.585±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 약간 베이지
- InChI
- 1S/C9H5ClO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
- InChIKey
- HUMZENGQNOATEQ-UHFFFAOYSA-N
- SMILES
- OC1=CC(=O)Oc2ccc(Cl)cc12
화학적 성질
Slightly beige crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 40 reports by companies from 3 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
- wgk
- 3
- HS 번호
- 29329900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도6-Chloro-4-hydroxycoumarin may be employed for the synthesis of 5-alkylidene-4-chloro-5H-1,2,3-dithiazoles. It may be employed for the synthesis of 6-[(coumarinyl-1-aryl-propionyl]benzoxazinones.
일반 설명6-Chloro-4-hydroxycoumarin is a substituted 4-hydroxycoumarin. It participates in the Fe/Acetic acid (AcOH) catalyzed synthesis of various biologically active compounds.
공급사60 곳
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Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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