기본 정보
- CAS
62524-44-1- 표준 SMILES
Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(Cl)cc(Cl)c1[O-].Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(Cl)cc(S(=O)(=O)[O-])c1[O-].[Cr+3].[Na+].[Na+]- InChIKey
IOWRUSATJPBFNJ-UHFFFAOYSA-I- 분자식
- C32H20Cl3CrN8O7S.2Na
- 평균 분자량
- 864.9 g/mol
- 단동위원소 질량
- 862.944168
이름 및 식별자
- 우선 이름
- Chromate(2-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))(4-((3,5-dichloro-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, disodium
- IUPAC
- disodium;5-chloro-3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate;chromium(3+);4-[(3,5-dichloro-2-oxidophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate
이름 및 동의어
Chromate(2-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))(4-((3,5-dichloro-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, disodiumChromate(2-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))(4-(2-(3,5-dichloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, sodium (1:2)Chromate(2-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)][4-[(3,5-dichloro-2-hydroxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, disodiumChromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]-2-(hydroxy-kappaO)benzenesulfonato(3-)][4-[2-[3,5-dichloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, sodium (1:2)RefChem:576529DTXCID901769874263-582-7Chromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(3-)][4-[2-[3,5-dichloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, sodium (1:2)
물성
구조 계산 물성
- 극성 표면적
- 243 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,080
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 14.3% (1 of 7) of reports.
H411 (85.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: Chromate(2-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)][4-[(3,5-dichloro-2-hydroxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, disodium
Other Safety Information
IMAP assessments - Chromate(2-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)][4-[(3,5-dichloro-2-hydroxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, disodium: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (85.7%)
화학 및 산업
용도 및 제조
General Manufacturing Information
Chromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(3-)][4-[2-[3,5-dichloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, sodium (1:2): INACTIVE
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