Oxanilic acid
Basic information
- CAS
500-72-1- Standard SMILES
O=C(O)C(=O)Nc1ccccc1- InChIKey
PQJZHMCWDKOPQG-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259308
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Oxanilic acid
- IUPAC
- 2-anilino-2-oxoacetic acid
- English name
- oxanilic acid
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
500-72-1OXANILIC ACIDAcetic acid, oxo(phenylamino)-2-Oxo-2-(phenylamino)acetic acidN-Phenyloxamic acidOxamic acid, phenyl-Kyselina oxalanilovaAcetic acid, 2-oxo-2-(phenylamino)-NSC-47546136B46378DDTXSID4060105RefChem:168823
Show more names
OxanilateWLN: QVVMRN-Phenyloxamidic acidN-Phenyloxalamic acidoxalic acid monoanilide
DTXCID4040769207-910-9Anilino(oxo)acetic acid2-anilino-2-oxoacetic acidMFCD00020384NSC 47546(phenylcarbamoyl)formic acid2-ANILINO-2-OXO-ACETIC ACID
Database identifiers
- CAS
500-72-1- PubChem CID
- 10378
- DTXSID
DTXSID4060105- ChEMBL
CHEMBL3248231- UNII
- 136B46378D
- EC Number
- 207-910-9
- Nikkaji
- J77.225I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionSolid; [Matrix Scientific MSDS]
Physicochemical properties
- Melting point
- 150 °C · 150°C
- Boiling point
- 292.97 °C · 292.97°C (rough estimate)
- Density
- 1.345 · 1.3450 (rough estimate)
- refractive index
- 1.5468 · 1.5468 (estimate)
- storage temp.
- Store at room temperature
- pka
- 0.11 · 0.11±0.54(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- 8.241 g/L · 8.241g/L(25 ºC)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 136 B46378D · 136B46378D
- EPA Substance Registry System
- Acetic acid, oxo(phenylamino)- (500-72-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- RTECS
- 3150000 · RP3150000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 2922498590 · 2922498590
- Toxicity
- 500 mg/kg · LDLo ipr-mus: 500 mg/kg CBCCT* 7,395,55
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
Hazards SummaryIntraperitoneal LDLo (mouse) = 500 mg/kg; [RTECS] An irritant; [Matrix Scientific MSDS]
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RP3150000
- hs_code
- 2922498590
- Toxicity
- LDLo ipr-mus: 500 mg/kg CBCCT* 7,395,55
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-oxo-2-(phenylamino)-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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