Basic information
- CAS
71215-83-3- Standard SMILES
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccc(-c2ccc(N=Nc3ccc(O)c(C(=O)[O-])c3)cc2Cl)c(Cl)c1.[Na+].[Na+]- InChIKey
JDCAAORXVGDNBZ-UHFFFAOYSA-L- Molecular formula
- C29H17Cl2N5Na2O7S
- Average molar mass
- 696.4 g/mol
- Monoisotopic mass
- 695.002113
Overview
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Names & identifiers
- Preferred name
- Benzoic acid, 5-[2-[4'-[2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-2,2'-dichloro[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2)
- IUPAC
- disodium;5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]diazenyl]-2-hydroxybenzoate
- English name
- disodium 5-[[4'-[(2-amino-8-hydroxy-6-sulphonato-2-naphthyl)azo]-2,2'-dichloro[1,1'-biphenyl]-4-yl]azo]salicylate
- Molecular formula
- C29H20Cl2N5NaO7S
- Molecular weight
- 676.46
Names & synonyms
DTXSID90890134Benzoic acid, 5-(2-(4'-(2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-2,2'-dichloro(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2)Benzoic acid, 5-[2-[4'-[2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-2,2'-dichloro[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2)RefChem:566106DTXCID00107905671215-83-3Benzoic acid, 5-((4'-((2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo)-2,2'-dichloro(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium saltBenzoic acid, 5-[[4'-[(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo]-2,2'-dichloro[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium saltEINECS 275-271-3Disodium 5-((4'-((2-amino-8-hydroxy-6-sulphonato-2-naphthyl)azo)-2,2'-dichloro(1,1'-biphenyl)-4-yl)azo)salicylate2,2'-Dichloro-4-((3-carboxy-4-hydroxyphenyl)azo)-4'-((2-amino-8-hydroxy-6-sulfonaphthyl-1)azo)-1,1'-biphenyl, disodium saltDisodium 5-({4'-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-2,2'-dichloro[1,1'-biphenyl]-4-yl}diazenyl)-2-hydroxybenzoate
Properties
Computed structural properties
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzoic acid, 5-[[4'-[(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo]-2,2'-dichloro[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt (71215-83-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 5-[2-[4'-[2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-2,2'-dichloro[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2): INACTIVE
Related reactions
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Compound notes
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