4-(1,3-Dioxopropan-2-yl)-3-nitrobenzoic acid

Base Information

• Chemical Name: 4-(1,3-Dioxopropan-2-yl)-3-nitrobenzoic acid
• CAS No.: 205985-96-2
• Molecular Formula: C10H7NO6
• Molecular Weight: 237.1657
• Hs Code.: 2918300090
• European Community (EC) Number: 813-516-3
• DSSTox Substance ID: DTXSID00371429
• Wikidata: Q82158756
• Mol file: 205985-96-2.mol

Synonyms:205985-96-2;4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid;2-(4-hydroxycarbonyl-2-nitrophenyl)-malondialdehyde;2-(4-Hydroxycarbonyl-2-nitrophenyl)malondialdehyde;SCHEMBL2561554;DTXSID00371429;MFCD00216499;AKOS027379283;2-(4-carboxy-2-nitrophenyl)malondialdehyde;CS-0336512;FT-0643923;4-(1,3-dioxopropan-2-yl)-3-nitrobenzoicacid;4-(1-Formyl-2-oxoethyl)-3-nitrobenzoic acid

Chemical Property of 4-(1,3-Dioxopropan-2-yl)-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 4.61E-12mmHg at 25°C
• Melting Point: 199-201 °C
• Boiling Point: 461 °C at 760 mmHg
• PKA: 2.32±0.10(Predicted)
• Flash Point: 202.6 °C
• PSA: 117.26000
• Density: 1.496 g/cm³
• LogP: 1.29760
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 237.02733694
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Carboxy-2-nitrophenyl)malondialdehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(C=O)C=O