기본 정보
- CAS
80997-92-8- 표준 SMILES
C=CC(=O)Nc1ccc(-n2nc(C)[c-](N=Nc3ccccc3C(=O)O)c2=O)cc1.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1ccc(S(=O)(=O)O)cc1C(=O)O.[Cr].[Na+].[Na+]- InChIKey
AHXLIPXJIKYBBX-UHFFFAOYSA-N- 분자식
- C37H29CrN9Na2O10S
- 평균 분자량
- 889.7 g/mol
- 단동위원소 질량
- 889.095853
이름 및 식별자
- 우선 이름
- Chromate(2-), [2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[(1-oxo-2-propenyl)amino]phenyl]-1H-pyrazol-4-yl]azo]benzoato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-sulfobenzoato(3-)]-, disodium
- IUPAC
- disodium;chromium;2-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-5-sulfobenzoic acid;2-[[3-methyl-5-oxo-1-[4-(prop-2-enoylamino)phenyl]pyrazol-4-id-4-yl]diazenyl]benzoic acid
이름 및 동의어
Chromate(2-), (2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((1-oxo-2-propenyl)amino)phenyl)-1H-pyrazol-4-yl)azo)benzoato(2-))(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-5-sulfobenzoato(3-))-, disodiumChromate(2-), [2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[(1-oxo-2-propenyl)amino]phenyl]-1H-pyrazol-4-yl]azo]benzoato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-sulfobenzoato(3-)]-, disodiumRefChem:576453279-649-9EINECS 279-649-980997-92-8
데이터베이스 식별자
- CAS
80997-92-8- PubChem CID
- 91809013
- EC Number
- 279-649-9
물성
구조 계산 물성
- 극성 표면적
- 281 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,770
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Chromate(2-), [2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[(1-oxo-2-propenyl)amino]phenyl]-1H-pyrazol-4-yl]azo]benzoato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-sulfobenzoato(3-)]-, disodium
Other Safety Information
IMAP assessments - Chromate(2-), [2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[(1-oxo-2-propenyl)amino]phenyl]-1H-pyrazol-4-yl]azo]benzoato(2-)][2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-sulfobenzoato(3-)]-, disodium: Human health tier I assessment
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