기본 정보
- CAS
71598-35-1- 표준 SMILES
Cc1nn(-c2cccc(Cl)c2)c([O-])c1N=Nc1cc(S(C)(=O)=O)ccc1[O-].Cc1nn(-c2cccc(Cl)c2)c([O-])c1N=Nc1cc(S(C)(=O)=O)ccc1[O-].[Cr+3].[H+]- InChIKey
JIUMEAQOHLBITO-UHFFFAOYSA-K- 분자식
- C34H27Cl2CrN8O8S2
- 평균 분자량
- 862.7 g/mol
- 단동위원소 질량
- 861.017537
이름 및 식별자
- 우선 이름
- Hydrogen bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-mesylphenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)]chromate(1-)
- IUPAC
- bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);chromium(3+);hydron
이름 및 동의어
Hydrogen bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-mesylphenyl)azo)-5-methyl-3H-pyrazol-3-onato(2-))chromate(1-)Hydrogen bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-mesylphenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)]chromate(1-)RefChem:789076275-660-871598-35-1Chromate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1)EINECS 275-660-8DTXSID101015168Chromate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogenChromate(1-), bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-(methylsulfonyl)phenyl]azo-.kappa.N1]-5-methyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogenChromium(3+) hydrogen 2-{(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-id-4-yl]diazenyl}-4-(methanesulfonyl)phenolate (1/1/2)
데이터베이스 식별자
- CAS
71598-35-1- PubChem CID
- 172851
- DTXSID
DTXSID101015168- EC Number
- 275-660-8
물성
구조 계산 물성
- 극성 표면적
- 262 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 643
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (105 of 105) of all reports.
Not Classified
Aggregated GHS information provided per 105 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: Hydrogen bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-mesylphenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)]chromate(1-) (EC: 275-660-8)
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
General Manufacturing InformationChromate(1-), bis[2-(3-chlorophenyl)-2,4-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-(methylsulfonyl)phenyl]diazenyl-.kappa.N1]-5-methyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen (1:1): ACTIVE
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