5-(Phenylazo)salicylic acid
Basic information
- CAS
10143-07-4- Standard SMILES
O=C(O)c1cc(N=Nc2ccccc2)ccc1O- InChIKey
JHDYSXXPQIFFJZ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 5-(Phenylazo)salicylic acid
- IUPAC
- 2-hydroxy-5-phenyldiazenylbenzoic acid
- English name
- 5-(phenylazo)salicylic acid
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
3147-53-35-(Phenylazo)salicylic acidRefChem:10725772-Hydroxy-5-(phenyldiazenyl)benzoic acidPhenylazosalicylic AcidMFCD000202632-Hydroxy-5-(2-phenyldiazenyl)benzoic Acid2-hydroxy-5-phenyldiazenylbenzoic acidMesalazine EP Impurity IBenzoic acid, 2-hydroxy-5-(phenylazo)-2-Hydroxy-5-(phenylazo)benzoic Acid(E)-2-hydroxy-5-(phenyldiazenyl)benzoic acid
Show more names
Mesalazine ImpurityMesalazine Impurity IMesalazine Impurity 9Mesalamine EP Impurity I5-Phenylazido salicylic acid
0JGZ1HX6EX380360-42-9NSC 163392CHEMBL1834961NSC-1633922-hydroxy-5-phenyldiazenyl benzoic acid10143-07-4CK 46A
Database identifiers
- CAS
10143-07-4、3147-53-3- PubChem CID
- 76603
- DTXSID
DTXSID70877100- ChEMBL
CHEMBL1834961- UNII
- 0JGZ1HX6EX
- EC Number
- 221-569-3、233-406-3
- Nikkaji
- J1.627.233G、J30.159K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 220.5 °C · 220.5 °C
- Boiling point
- 472.7 · 472.7±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone (Slightly), Aqueous Base (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.71 · 2.71±0.10(Predicted)
- color
- Brown to Dark Brown
- Stability
- Light Sensitive
- InChI
- InChI=1S/C13H10N2O3/c16-12-7-6-10(8-11(12)13(17)18)15-14-9-4-2-1-3-5-9/h1-8,16H,(H,17,18)
- InChIKey
- JHDYSXXPQIFFJZ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(N=NC2=CC=CC=C2)=CC=C1O
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesMesalazine (M258100) impurity.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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