2-Formyl-5-nitrobenzoic acid

HCID 343685

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Basic information

CAS: 7464-91-7
Standard SMILES: O=Cc1ccc([N+](=O)[O-])cc1C(=O)O
InChIKey: IQZDAZHSOLMQJD-UHFFFAOYSA-N
Molecular formula: C8H5NO5
Average molar mass: 195.13 g/mol
Monoisotopic mass: 195.01677226

Names & identifiers

Preferred name: 2-Formyl-5-nitrobenzoic acid
IUPAC: 2-formyl-5-nitrobenzoic acid
English name: 2-FORMYL-5-NITROBENZOIC ACID
Molecular formula: C8H5NO5
Molecular weight: 195.13

Names & synonyms

2-formyl-5-nitrobenzoic acid7464-91-7DTXSID70321971RefChem:261157DTXCID002730902-Formyl-5-nitro-benzoic acidBenzoic acid,2-formyl-5-nitro-MFCD067395765-Nitrophthalaldehydic acid2-carboxy-4-nitrobenzaldehydeSCHEMBL28860742IQZDAZHSOLMQJD-UHFFFAOYSA-N

Show more names

NSC400132AKOS005209314NSC-400132DS-010413CS-0269258EN300-160503H39359F031130

Database identifiers

CAS: 7464-91-7
PubChem CID: 343685
DTXSID: DTXSID70321971

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 162 °C · 162 °C
Boiling point: 424.8 · 424.8±40.0 °C(Predicted)
Density: 1.555 · 1.555±0.06 g/cm3(Predicted)
pka: 3.74 · 3.74±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313