1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]-
Basic information
- CAS
2494-93-1- Standard SMILES
Cc1cc(N)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1- InChIKey
LKAKVHLFQWPGQR-UHFFFAOYSA-N- Molecular formula
- C17H15N3O6S2
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.04022755
Names & identifiers
- Preferred name
- 1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]-
- IUPAC
- 7-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
- English name
- AGAT Base
- Molecular formula
- C17H15N3O6S2
- Molecular weight
- 421.4475
Names & synonyms
EINECS 219-670-21,3-Naphthalenedisulfonic acid, 7-[(4-amino-2-methylphenyl)azo]-NSC 655361,3-Naphthalenedisulfonic acid, 7-((4-amino-2-methylphenyl)azo)-1,3-Naphthalenedisulfonic acid, 7-(2-(4-amino-2-methylphenyl)diazenyl)-1,3-Naphthalenedisulfonic acid, 7-((4-amino-o-tolyl)azo)-1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]-RefChem:4153581,3-Naphthalenedisulfonic acid, 7-((4-amino-o-tolyl)azo)-(8CI)2494-93-17-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid7-((4-Amino-o-tolyl)azo)naphthalene-1,3-disulphonic acid
Show more names
7-[(4-amino-o-tolyl)azo]naphthalene-1,3-disulphonic acid2-(4'-Amino-2'-Methylphenyl)Azo-6,8-Naphthalenedisulfonic AI7-(4-amino-2-methyl-phenyl)azonaphthalene-1,3-disulfonic acid7-[(4-Amino-2-methylphenyl)azo]-1,3-naphthalenedisulfonic acid7-(4-amino-2-methylphenyl)diazenylnaphthalene-1,3-disulfonic acid7-(4-azanyl-2-methyl-phenyl)diazenylnaphthalene-1,3-disulfonic acid2-(4'-Amino-2'-Methylphenyl)Azo-6,8-Naphthalenedisulfonic AI /AGAT BASE
AGAT Base2-Propenoic acid,phenylmethyl esterNSC65536DTXSID6062466SCHEMBL11655955SCHEMBL13152004LKAKVHLFQWPGQR-UHFFFAOYSA-N1, 7-[(4-amino-o-tolyl)azo]-
Database identifiers
- CAS
2494-93-1- PubChem CID
- 75616
- DTXSID
DTXSID6062466- EC Number
- 219-670-2
- Nikkaji
- J191.985G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 789
Experimental & physicochemical properties
Physical DescriptionWet Solid
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Naphthalenedisulfonic acid, 7-[(4-amino-2-methylphenyl)azo]- (2494-93-1)
- 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.
Hazard information
Regulatory Information
1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
1,3-Naphthalenedisulfonic acid, 7-[2-(4-amino-2-methylphenyl)diazenyl]-: ACTIVE
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Related reactions
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Compound notes
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