Basic information
- CAS
21416-46-6- Standard SMILES
O=C(O)c1cc2ccccc2c(N=Nc2ccc3ccccc3c2S(=O)(=O)O)c1O- InChIKey
PWUSHZPXYOALFZ-UHFFFAOYSA-N- Molecular formula
- C21H14N2O6S
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.05725734
Names & identifiers
- Preferred name
- Pigment Red 63
- IUPAC
- 3-hydroxy-4-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-carboxylic acid
Names & synonyms
21416-46-6Pigment Red 63RefChem:371672D&c Red No.34D&C Red 34SCHEMBL92065SCHEMBL5356615SCHEMBL9102907SCHEMBL13276323SCHEMBL13276324SCHEMBL29391836DTXSID90863803
Show more names
PWUSHZPXYOALFZ-UHFFFAOYSA-N2-Naphthalenecarboxylic acid, 3-hydroxy-4-((1-sulfo-2-naphthalenyl)azo)-NS00040967NS001245393-Hydroxy-4-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-carboxylic acid
Database identifiers
- CAS
21416-46-6- PubChem CID
- 80877
- DTXSID
DTXSID90863803- Nikkaji
- J32.170B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 766
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 InformationChemical: 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(1-sulfo-2-naphthalenyl)azo]-
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(1-sulfo-2-naphthalenyl)azo]-: Human health tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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