4,11-triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((2-((4-chloro-6-((2,4-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-, hexasodium salt
기본 정보
- CAS
84434-51-5- 표준 SMILES
O=S(=O)(O)c1ccc(Nc2nc(Cl)nc(NCCN=c3ccc4nc5c(Cl)c6c(c(Cl)c5oc-4c3S(=O)(=O)O)Nc3ccc(NCCNc4nc(Cl)nc(Nc5ccc(S(=O)(=O)O)cc5S(=O)(=O)O)n4)c(S(=O)(=O)O)c3O6)n2)c(S(=O)(=O)O)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
XDZUWRXVKCXDSK-UHFFFAOYSA-N- 분자식
- C40H30Cl4N14Na6O20S6+6
- 평균 분자량
- 1,498.9 g/mol
- 단동위원소 질량
- 1,495.822533
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 4,11-triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((2-((4-chloro-6-((2,4-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-, hexasodium salt
- IUPAC
- hexasodium;6,13-dichloro-10-[2-[[4-chloro-6-(2,4-disulfoanilino)-1,3,5-triazin-2-yl]amino]ethylamino]-3-[2-[[4-chloro-6-(2,4-disulfoanilino)-1,3,5-triazin-2-yl]amino]ethylimino]-7H-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
이름 및 동의어
4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((2-((4-chloro-6-((2,4-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-, hexasodium saltHexasodium 6,13-dichloro-3,10-bis((2-((4-chloro-6-((2,4-disulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)triphenodioxazine-4,11-disulphonate4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulfophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]-, hexasodium saltHexasodium 6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]triphenodioxazine-4,11-disulphonateRefChem:506330282-850-44,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis2-4-chloro-6-(2,4-disulfophenyl)amino-1,3,5-triazin-2-ylaminoethylamino-, hexasodium salt84434-51-5EINECS 282-850-4EC 282-850-4
데이터베이스 식별자
- CAS
84434-51-5- PubChem CID
- 136048271
- EC Number
- 282-850-4
물성
구조 계산 물성
- 극성 표면적
- 569 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 90
- 형식 전하
- 6
- 복잡도
- 3,260
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 13.9% (11 of 79) of reports.
Danger
H317 (86.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulfophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]-, hexasodium salt
REACH registered substance: Hexasodium 6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]triphenodioxazine-4,11-disulphonate (EC: 282-850-4)
4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis2-4-chloro-6-(2,4-disulfophenyl)amino-1,3,5-triazin-2-ylaminoethylamino-, hexasodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (86.1%)
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