Benzoic acid, 5-(2-(4'-(2-(4-(2-(4-amino-7-sulfo-1-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:3)

HCID 165447
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기본 정보

CAS
6360-29-8
표준 SMILES
Nc1ccc(N=Nc2ccc(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)c(C(=O)[O-])c5)cc4)cc3)c3ccc(S(=O)(=O)[O-])cc23)c2cc(S(=O)(=O)[O-])ccc12.[Na+].[Na+].[Na+]
InChIKey
RJDWQVFKQLBFBW-UHFFFAOYSA-K
분자식
C39H24N7Na3O9S2
평균 분자량
867.8 g/mol
단동위원소 질량
867.07700056

이름 및 식별자

우선 이름
Benzoic acid, 5-(2-(4'-(2-(4-(2-(4-amino-7-sulfo-1-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:3)
IUPAC
trisodium;5-[[4-[4-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
영어명
trisodium 5-[[4'-[[4-[(4-amino-7-sulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate
분자식
C39H28N7NaO9S2
분자량
825.8

이름 및 동의어

6360-29-8EINECS 228-826-9Benzoic acid, 5-((4'-((4-((4-amino-7-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, trisodium saltBenzoic acid, 5-(2-(4'-(2-(4-(2-(4-amino-7-sulfo-1-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:3)Benzoic acid, 5-[2-[4'-[2-[4-[2-(4-amino-7-sulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:3)RefChem:566082C.I. Direct Brown 27trisodium;5-[[4-[4-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoateDTXSID5064259Trisodium 5-((4'-((4-((4-amino-7-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylateNS00043377Trisodium 5-{[4'-({4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl}diazenyl)[1,1'-biphenyl]-4-yl]diazenyl}-2-hydroxybenzoate
이름 더 보기
C.I.31725Direct Brown 27CIDIRECTBROWN27Direct brown 27 (C.I. 31725)C.I.Direct Brown 27:C.I.31725trisodium 5-[[4'-[[4-[(4-amino-7-sulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylateTrisodium 5-((4'-((4-((4-amino-7-sulphonato-1-naphthyl)azo)- 6-sulphonato-1-naphthyl)azo)(1,1'-biphenyl)-4- yl)azo)salicylate5-[[4'-[[4-[(4-Amino-7-sulfo-1-naphtyl)azo]-6-sulfo-1-naphtyl]azo]-1,1'-biphenyl-4-yl]azo]-2-hydroxybenzoic acid trisodium salttrisodium,(3Z)-3-[[4-[4-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate

데이터베이스 식별자

CAS
6360-29-8
PubChem CID
165447
DTXSID
DTXSID5064259
EC Number
228-826-9

물성

구조 계산 물성

극성 표면적
292 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
16
회전 가능 결합 수
7
무거운 원자 수
60

물리화학적 성질

EPA
27 · C.I. Direct Brown 27 (6360-29-8)

안전 및 규제

유해성 정보

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

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-[2-[4'-[2-[4-[2-(4-amino-7-sulfo-1-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:3): INACTIVE

제조 방법

4-(4-Aminophenyl)benzenamine double nitriding, first coupled with 2-Hydroxybenzoic acid, and with 8-Aminonaphthalene-2-sulfonic acid coupling, its product to diazo, and 5-Aminonaphthalene-2-sulfonic acid coupling.

상·하류 제품 정보

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