4-((2-Hydroxy-1-naphthyl)azo)benzenesulphonic acid
Basic information
- CAS
573-89-7- Standard SMILES
O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1- InChIKey
RDUJRVXKAIVTDH-UHFFFAOYSA-N- Molecular formula
- C16H12N2O4S
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.05177804
Overview
4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid is a member of naphthols.
Names & identifiers
- Preferred name
- 4-((2-Hydroxy-1-naphthyl)azo)benzenesulphonic acid
- IUPAC
- 4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
- English name
- 4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonic acid
- Molecular formula
- C16H12N2O4S
- Molecular weight
- 328.34
Names & synonyms
4-((2-Hydroxy-1-naphthyl)azo)benzenesulphonic acidEINECS 209-362-64-[(2-hydroxy-1-naphthyl)azo]benzenesulphonic acidRefChem:509032209-362-6573-89-7Acid orange ii4-[(2-hydroxy-1-naphthalenyl)azo]benzenesulfonic acidMandarin GTropaeolin OOO4-((2-hydroxynaphthalen-1-yl)diazenyl)benzenesulfonic acid4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Show more names
4-(2-Hydroxy-1-naphtylazo)benzenesulfonic acidBenzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
DFC Orange 4Acid orange 7 (free acid)SCHEMBL92162C.I. Acid Orange 7 parentSCHEMBL109165CHEMBL2008747CHEMBL3306200DTXSID7047986
Database identifiers
- CAS
573-89-7- PubChem CID
- 11315
- DTXSID
DTXSID7047986
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
Experimental & physicochemical properties
Collision Cross Section182.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0038881]
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -1.03 · -1.03±0.50(Predicted)
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 4-[(2-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid is a member of naphthols.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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