기본 정보
- CAS
68039-61-2- 표준 SMILES
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3[O-])c([O-])c12.[Cu+2].[H+].[H+].[H+]- InChIKey
FZWXEYCIMUAQBQ-UHFFFAOYSA-L- 분자식
- C18H15CuN3O14S4
- 평균 분자량
- 689.1 g/mol
- 단동위원소 질량
- 687.873284
이름 및 식별자
- 우선 이름
- Cuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3)
- IUPAC
- copper;5-amino-4-oxido-3-[[2-oxido-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate;hydron
이름 및 동의어
EINECS 268-269-9(5-Amino-4-hydroxy-3-((2-hydroxy-4-((2-sulfooxy)ethyl)sulfonyl)phenyl)azo)-2,7-naphthalenedisulfonato(2-))copperCuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(5-))-, trihydrogenCuprate(3-), (5-amino-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3)68039-61-2Trihydrogen (5-amino-4-hydroxy-3-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3-)Trihydrogen [5-amino-4-hydroxy-3-[[2-hydroxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonato(5-)]cuprate(3-)DTXSID601341409Cuprate(3-), [5-amino-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(5-)]-, hydrogen (1:3)Cuprate(3-), [5-amino-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(5-)]-, hydrogen (1:3)RefChem:579758DTXCID401770254
이름 더 보기
268-269-9
데이터베이스 식별자
- CAS
68039-61-2- PubChem CID
- 106452
- EC Number
- 268-269-9
물성
구조 계산 물성
- 극성 표면적
- 345 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,290
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 50% (1 of 2) of reports.
Warning
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
화학 및 산업
용도 및 제조
General Manufacturing InformationCuprate(3-), [5-amino-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(5-)]-, hydrogen (1:3): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…