4-Amino-alpha-oxobenzeneacetic acid
Basic information
- CAS
15535-99-6- Standard SMILES
Nc1ccc(C(=O)C(=O)O)cc1- InChIKey
ZNTIQRYMOADNDC-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Names & identifiers
- Preferred name
- 4-Amino-alpha-oxobenzeneacetic acid
- IUPAC
- 2-(4-aminophenyl)-2-oxoacetic acid
- English name
- 4-Aminobenzene-(2'-oxoacetic acid)
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
15535-99-64-Amino-alpha-oxobenzeneacetic acidRefChem:2900572-(4-aminophenyl)-2-oxoacetic acid4-Aminobenzene-(2'-oxoacetic acid)4-AMINOBENZENE-(2/'-OXOACETIC ACID)SCHEMBL4592053AKOS006278816AT51299EN300-25154254-amino-α-oxophenylacetic acidBenzeneacetic acid, 4-amino-α-oxo-
Database identifiers
- CAS
15535-99-6- PubChem CID
- 5086448
- EC Number
- 172-384-9
- Nikkaji
- J2.728.434E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 363 · 363.0±34.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.54(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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