Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-3-methyl-, sodium salt (1:2)

HCID 80699
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기본 정보

CAS
6360-54-9
표준 SMILES
Cc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(N)c(N=Nc2ccc(-c3ccc(N=Nc4cc(C)c(O)c(C(=O)[O-])c4)cc3)cc2)c1N.[Na+].[Na+]
InChIKey
FAQUHXBTAIFQMH-UHFFFAOYSA-L
분자식
C33H26N8Na2O6S
평균 분자량
708.7 g/mol
단동위원소 질량
708.14914032

이름 및 식별자

우선 이름
Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-3-methyl-, sodium salt (1:2)
IUPAC
disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoate

이름 및 동의어

Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-3-methyl-, sodium salt (1:2)Benzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-3-methyl-, sodium salt (1:2)RefChem:566079C.I. Direct Brown 154, disodium salt6360-54-9Direct Brown CMDErie Brown 3GNDirect Brown 5GRDirect Brown D3YPhenamine Brown 3GDiphenyl Brown 3GTDirect Brown 154
이름 더 보기
Pontamine Brown N3GDiaphtamine Brown 3GCMetadiazol Brown 450Diamine Brown 3GN-CFC.I. Direct Brown 154EINECS 228-829-5C.I. 30120DTXSID4064260

데이터베이스 식별자

CAS
6360-54-9
PubChem CID
80699
DTXSID
DTXSID4064260
EC Number
228-829-5

물성

구조 계산 물성

극성 표면적
252 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
7
무거운 원자 수
50

안전 및 규제

유해성 정보

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-3-methyl-, sodium salt (1:2): INACTIVE

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