기본 정보
- CAS
72987-21-4- 표준 SMILES
COc1cc(N=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c23)c(C)cc1NC(=O)Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
BRZMATKZKCMEPJ-RQEOPCHLSA-I- 분자식
- C41H27N8Na5O19S5
- 평균 분자량
- 1,211 g/mol
- 단동위원소 질량
- 1,209.9484479
이름 및 식별자
- 우선 이름
- 2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((((5-hydroxy-7-sulfo-6-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-, pentasodium salt
- IUPAC
- pentasodium;4-hydroxy-5-[[4-[[5-hydroxy-7-sulfonato-6-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate
- 영어명
- pentasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulphonato-6-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonate
- 분자식
- C41H27N8Na5O19S5
- 분자량
- 1210.96913
이름 및 동의어
DTXSID40904876EINECS 277-180-42,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((((5-hydroxy-7-sulfo-6-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-, pentasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((((5-hydroxy-7-sulfo-6-(2-(2-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:5)4-Hydroxy-5-((4-((((3-((4-((4-sulfophenyl)azo)-2-sulfophenyl)azo)-4-hydroxy-2-sulfo-7-naphthalenyl)amino)carbonyl)amino)-5-methoxy-2-methylphenyl)azo)-2,7-naphthalenedisulfonic acid, pentasodium saltPentasodium 4-hydroxy-5-((4-((((5-hydroxy-7-sulphonato-6-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)-2-naphthyl)amino)carbonyl)amino)-5-methoxy-o-tolyl)azo)naphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[[[5-hydroxy-7-sulfo-6-[2-[2-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:5)Pentasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulphonato-6-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonateRefChem:446263DTXCID1013339922,7-Naphthalenedisulfonic acid, 4-hydroxy-5-4-5-hydroxy-7-sulfo-6-2-sulfo-4-(4-sulfophenyl)azophenylazo-2-naphthalenylaminocarbonylamino-5-methoxy-2-methylphenylazo-, pentasodium salt
이름 더 보기
4-Hydroxy-5-[[4-[[[[3-[[4-[(4-sulfophenyl)azo]-2-sulfophenyl]azo]-4-hydroxy-2-sulfo-7-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-2,7-naphthalenedisulfonic acid,pentasodium salt4-Hydroxy-5-[[4-[[[[3-[[4-[(4-sulfophenyl)azo]-2-sulfophenyl]azo]-4-hydroxy-2-sulfo-7-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-2,7-naphthalenedisulfonic acid, pentasodium salt2,7-Naphthalenedisulfonicacid,4-hydroxy-5-[2-[4-[[[[5-hydroxy-7-sulfo-6-[2-[2-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-,sodium salt (1:5)
277-180-472987-21-4NS00059096Pentasodium 4-hydroxy-5-[(E)-{4-[({5-hydroxy-7-sulfonato-6-[(E)-{2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}diazenyl]naphthalen-2-yl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl]naphthalene-2,7-disulfonate
데이터베이스 식별자
- CAS
72987-21-4- PubChem CID
- 166397
- DTXSID
DTXSID40904876- EC Number
- 277-180-4
물성
구조 계산 물성
- 극성 표면적
- 493 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 78
- 형식 전하
- 0
- 복잡도
- 2,550
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt (72987-21-4)
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% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-4-5-hydroxy-7-sulfo-6-2-sulfo-4-(4-sulfophenyl)azophenylazo-2-naphthalenylaminocarbonylamino-5-methoxy-2-methylphenylazo-, pentasodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-, pentasodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[[[5-hydroxy-7-sulfo-6-[2-[2-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:5): ACTIVE
공급사1 곳
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