Basic information
- CAS
28772-37-4- Standard SMILES
O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccccc1- InChIKey
SFEUKULSBVVBKN-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 5-(Benzoylamino)-2-hydroxybenzoic acid
- IUPAC
- 5-benzamido-2-hydroxybenzoic acid
- English name
- Benzoic acid,5-(benzoylamino)-2-hydroxy-
- Molecular formula
- C14H11NO4
- Molecular weight
- 257.24
Names & synonyms
5-(Benzoylamino)-2-hydroxybenzoic acid28772-37-4N59FQM30D8UNII-N59FQM30D8NSC 159689NSC-159689DTXSID60182952SALICYLIC ACID, 5-BENZAMIDO-5-(BENZOYLAMINO)SALICYLIC ACIDBenzoic acid, 5-(benzoylamino)-2-hydroxy-RefChem:101748DTXCID00105443
Show more names
Benzoic acid,5-(benzoylamino)-2-hydroxy-
5-benzamido-2-hydroxybenzoic acidNSC159689Oprea1_252496SCHEMBL11299485-benzamido-2-hydroxy-benzoic acidSTK729614AKOS0001045675-BENZOYLAMINO-2-HYDROXY-BENZOIC ACID
Database identifiers
- CAS
28772-37-4- PubChem CID
- 293294
- DTXSID
DTXSID60182952- UNII
- N59FQM30D8
- EC Number
- 104-554-5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 261 °C · 261 °C (decomp)
- Boiling point
- 381.6 · 381.6±37.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.10(Predicted)
- FDA UNII
- 59 FQM30D8 · N59FQM30D8
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, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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