Basic information
- CAS
68084-16-2- Standard SMILES
COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1N- InChIKey
RRMNLFKNUMFJTH-UHFFFAOYSA-N- Molecular formula
- C18H17N3O8S2
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.04570686
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-
- IUPAC
- 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
- English name
- 4-[(4-amino-5-methoxy-o-tolyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid
- Molecular formula
- C18H17N3O8S2
- Molecular weight
- 467.47
Names & synonyms
EINECS 268-428-22,7-Naphthalenedisulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-5-hydroxy-2,7-Naphthalenedisulfonic acid, 4-((4-amino-5-methoxy-2-methylphenyl)azo)-5-hydroxy-2,7-Naphthalenedisulfonic acid, 4-(2-(4-amino-5-methoxy-2-methylphenyl)diazenyl)-5-hydroxy-4-Hydroxy-5-(4-amino-5-methoxy-2-methyl phenyl)azo-2,7-naphthalenedisulfonic acid2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-RefChem:44610468084-16-246P5T9F8LESCHEMBL4084052SCHEMBL4084057DTXSID7071070
Show more names
4-[(4-amino-5-methoxy-o-tolyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid4-[(4-Amino-5-methoxy-2-methylphenyl)azo]-5-hydroxy-2,7-naphthalenedisulfonic acid
RRMNLFKNUMFJTH-UHFFFAOYSA-N4-((4-Amino-5-methoxy-o-tolyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acidNS000363984-[2-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-5-hydroxy- (68084-16-2)
- 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 Information2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…