5-Nitro-2-propionamidobenzoic acid
Basic information
- CAS
73721-80-9- Standard SMILES
CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O- InChIKey
LLCMGMSMWZUFKW-UHFFFAOYSA-N- Molecular formula
- C10H10N2O5
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.05897142
Names & identifiers
- Preferred name
- 5-Nitro-2-propionamidobenzoic acid
- IUPAC
- 5-nitro-2-(propanoylamino)benzoic acid
- English name
- 5-Nitro-2-propionamidobenzoic acid
- Molecular formula
- C10H10N2O5
- Molecular weight
- 238.2
Names & synonyms
5-Nitro-2-propionamidobenzoic acidRefChem:53741173721-80-9666-224-1AKOS002435553Benzoic acid, 5-nitro-2-[(1-oxopropyl)amino]-
Database identifiers
- CAS
73721-80-9- PubChem CID
- 5224967
- EC Number
- 666-224-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 500.3 · 500.3±45.0 °C(Predicted)
- Density
- 1.457 · 1.457±0.06 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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