4-Hydroxy-3-((4-sulpho-1-naphthyl)azo)naphthalene-1-sulphonic acid
Basic information
- CAS
13613-55-3- Standard SMILES
O=S(=O)(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12- InChIKey
TVWOWDDBXAFQDG-UHFFFAOYSA-N- Molecular formula
- C20H14N2O7S2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.02424314
Overview
Azorubine is a naphthalenesulfonic acid.
Names & identifiers
- Preferred name
- 4-Hydroxy-3-((4-sulpho-1-naphthyl)azo)naphthalene-1-sulphonic acid
- IUPAC
- 4-hydroxy-3-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
- English name
- 4-hydroxy-3-[(4-sulpho-1-naphthyl)azo]naphthalene-1-sulphonic acid
- Molecular formula
- C20H14N2O7S2
- Molecular weight
- 458.46
Names & synonyms
4-Hydroxy-3-((4-sulpho-1-naphthyl)azo)naphthalene-1-sulphonic acid4-hydroxy-3-[(4-sulpho-1-naphthyl)azo]naphthalene-1-sulphonic acidRefChem:523789Azo rubin S13613-55-3Acid Red 2CAzorubinKarmesinAcid Red 2SCarmoisine baCarmoisine bssCarmoisine fu
Show more names
Einecs 237-098-11-Hydroxy-2-[(4-sulfo-1-naphtyl)azo]naphthalene-4-sulfonic acid7-Hydroxy-8-((4-sulfo-1-naphthyl)azo)-5-naphthalenesulfonic acid4-Hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 4-hydroxy-3-[2-(4-sulfo-1-naphthalenyl)diazenyl]-
Carmoisine wsCarmoisine supraCarmoisine SCarmoisine WAcid RubineChromotrop FBAzo rubine afCarmoisine GRN
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 880
Experimental & physicochemical properties
CosmeticsHair dyeing
Collision Cross Section211.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3021225]
Physicochemical properties
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.40(Predicted)
- FDA UNII
- 83344 C2N7U · 83344C2N7U
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 Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1-Naphthalenesulfonic acid, 4-hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Additional notes
DefinitionChEBI: Azorubine is a naphthalenesulfonic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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