Benzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, lithium salt (1:2)
Basic information
- CAS
70632-09-6- Standard SMILES
Cc1cc(-c2ccc(N=Nc3c(N)ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c3N)c(C)c2)ccc1N=Nc1ccc(O)c(C(=O)[O-])c1.[Li+].[Li+]- InChIKey
PCIVUQFBACAUBZ-UHFFFAOYSA-L- Molecular formula
- C33H26Li2N8O6S
- Average molar mass
- 676.6 g/mol
- Monoisotopic mass
- 676.20160862
Names & identifiers
- Preferred name
- Benzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, lithium salt (1:2)
- IUPAC
- dilithium;5-[[4-[4-[[2,6-diamino-3-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
- English name
- dilithium 5-[[4'-[[2,6-diamino-3-[(4-sulphonatophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate
- Molecular formula
- C33H26Li2N8O6S
- Molecular weight
- 676.55654
Names & synonyms
70632-09-6EINECS 274-709-0Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt4-((2,6-Diamino-3-((p-sulfophenyl)azo)phenyl)azo)-4'-(5-salicylazo)-3,3'-dimethyl-1,1'-biphenyl, dilithium saltBenzoic acid, 5-((4'-((2,6-diamino-3-((4-sulfophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, dilithium saltBenzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, lithium salt (1:2)Benzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, lithium salt (1:2)RefChem:566076DTXSID8072081NS00063194Dilithium 5-((4'-((2,6-diamino-3-((4-sulphonatophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)salicylateDilithium 5-{[4'-({2,6-diamino-3-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl}-2-hydroxybenzoate
Properties
Computed structural properties
- Topological polar surface area
- 252 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt (70632-09-6)
- 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-[2,6-diamino-3-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, lithium salt (1:2): INACTIVE
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Compound notes
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