Basic information
- CAS
25188-53-8- Standard SMILES
COc1cc(N=Nc2c(C)cc(C)cc2S(=O)(=O)O)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O- InChIKey
XRCOXKGRXOPBFA-UHFFFAOYSA-N- Molecular formula
- C32H29N5O8S2
- Average molar mass
- 675.7 g/mol
- Monoisotopic mass
- 675.14575525
Names & identifiers
- Preferred name
- 7-Anilino-3-((4-((2,4-dimethyl-6-sulphophenyl)azo)-6-methoxy-m-tolyl)azo)-4-hydroxynaphthalene-2-sulphonic acid
- IUPAC
- 7-anilino-3-[[4-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
- English name
- 7-anilino-3-[[4-[(2,4-dimethyl-6-sulphophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C32H29N5O8S2
- Molecular weight
- 675.73
Names & synonyms
7-Anilino-3-((4-((2,4-dimethyl-6-sulphophenyl)azo)-6-methoxy-m-tolyl)azo)-4-hydroxynaphthalene-2-sulphonic acid3-(2-(4-(2-(2,4-DIMETHYL-6-SULFOPHENYL)DIAZENYL)-2-METHOXY-5-METHYLPHENYL)DIAZENYL)-4-HYDROXY-7-(PHENYLAMINO)-2-NAPHTHALENESULFONIC ACID7-anilino-3-[[4-[(2,4-dimethyl-6-sulphophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid3-[2-[4-[2-(2,4-Dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-7-(phenylamino)-2-naphthalenesulfonic acidRefChem:54543125188-53-8Direct Violet 51 free acidC.I. Direct Violet 5196W4PG2770NSC 81745NSC-81745EINECS 246-728-4
Show more names
C.I.DIRECTVIOLET513-[[4-[(2,4-Dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-4-hydroxy-7-phenylamino-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 3-[2-[4-[2-(2,4-dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-7-(phenylamino)-
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- FDA UNII
- 96 W4PG2770 · 96W4PG2770
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
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Compound notes
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