기본 정보
- CAS
25738-33-4- 표준 SMILES
Cc1ccc2nc(-c3ccc4nc(-c5ccc(N=Nc6ccc(-c7nc8ccc(-c9nc%10ccc(C)c(S(=O)(=O)O)c%10s9)cc8s7)cc6)cc5)sc4c3)sc2c1S(=O)(=O)O- InChIKey
YBAQKFWZIMWRCK-UHFFFAOYSA-N- 분자식
- C42H26N6O6S6
- 평균 분자량
- 903.1 g/mol
- 단동위원소 질량
- 902.02380961
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Direct Yellow 29
- IUPAC
- 6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonic acid
이름 및 동의어
Direct Yellow 296537-66-2C.I. Direct Yellow 29, disodium saltNSC3262086-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonic acidDTXSID20110332025738-33-4C.I. Direct Yellow 29 (*disodium salt*)2, 6'-Dibenzothiazole-7-sulfonic acid, 2',2'''-(azodi-4, 1-phenylene)bis(6-methyl-{[2,6'-Bibenzothiazole]-7-sulfonic} acid, 2',2'''-(azodi-4, {1-phenylene)bis[6-methyl-,} disodium salt2, 6'-Dibenzothiazole-7-sulfonic acid, 2',2'''-(azodi-4, 1-phenylene)bis(6-methyl-, disodium salt6-methyl-2-[2-[4-[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]azophenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonic acid
이름 더 보기
6-Methyl-2a(2)-[4-[2-[4-(6-methyl-7-sulfo[2,6a(2)-bibenzothiazol]-2a(2)-yl)phenyl]diazenyl]phenyl][2,6a(2)-bibenzothiazole]-7-sulfonic acid
물성
구조 계산 물성
- XLogP
- 10.4
- 극성 표면적
- 315 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,650
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% (10 of 10) of all reports.
Not Classified
Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: [2,6'-Bibenzothiazole]-7-sulfonic acid, 2',2'''-(azodi-4,1-phenylene)bis[6-methyl-, disodium salt
Other Safety InformationIMAP assessments - [2,6'-Bibenzothiazole]-7-sulfonic acid, 2',2'''-(azodi-4,1-phenylene)bis[6-methyl-, disodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
관련 반응
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