기본 정보
- CAS
72252-61-0- 표준 SMILES
Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1O.[Cu].[Na+].[Na+]- InChIKey
JFXLDBIPGJIHMR-UHFFFAOYSA-N- 분자식
- C16H13CuN4Na2O8S2+
- 평균 분자량
- 563 g/mol
- 단동위원소 질량
- 561.926616
이름 및 식별자
- 우선 이름
- Disodium (5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-1,3-disulphonato(4-))cuprate(2-)
- IUPAC
- disodium;copper;4-hydroxy-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzene-1,3-disulfonic acid
이름 및 동의어
Cuprate(2-), (5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-1,3-benzenedisulfonato(4-))-, disodiumCuprate(2-), [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-1,3-benzenedisulfonato(4-)]-, disodiumDisodium (5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-1,3-disulphonato(4-))cuprate(2-)Disodium [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzene-1,3-disulphonato(4-)]cuprate(2-)RefChem:589248276-541-3EINECS 276-541-3Cuprate(2-), (5-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,3-benzenedisulfonato(4-))-, sodium (1:2)Cuprate(2-), (5-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-1,3-benzenedisulfonato(4-))-, disodium
데이터베이스 식별자
- CAS
72252-61-0- PubChem CID
- 91668055
- EC Number
- 276-541-3
물성
구조 계산 물성
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 33
- 형식 전하
- 1
- 복잡도
- 938
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 97.7% (2008 of 2055) of all reports.
Not Classified
Aggregated GHS information provided per 2055 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cuprate(2-), [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-1,3-benzenedisulfonato(4-)]-, disodium
REACH registered substance: Disodium [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzene-1,3-disulphonato(4-)]cuprate(2-) (EC: 276-541-3)
Other Safety InformationIMAP assessments - Cuprate(2-), [5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-1,3-benzenedisulfonato(4-)]-, disodium: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
관련 반응
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