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

Base Information

• Chemical Name: 3-(1,3-Dioxopropan-2-yl)-2-nitrobenzoic acid
• CAS No.: 205680-83-7
• Molecular Formula: C₁₀H₇NO₆
• Molecular Weight: 237.169
• Hs Code.: 2918300090
• European Community (EC) Number: 813-244-5
• Mol file: 205680-83-7.mol

Synonyms:205680-83-7;3-(1,3-dioxopropan-2-yl)-2-nitrobenzoic acid;2-(3-hydroxycarbonyl-2-nitrophenyl)-malondialdehyde;2-(3-Hydroxycarbonyl-2-nitrophenyl)malondialdehyde;2-(3-carboxy-2-nitrophenyl)malondialdehyde;SCHEMBL2559691;MFCD00216502;AKOS025116989;CS-0336517;3-(1,3-dioxopropan-2-yl)-2-nitrobenzoicacid;2-(3-HYDROXYCARBONYL-2-NITROPHENYL)MALONDIALDEHYDE,95

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

Chemical Property:

• Vapor Pressure: 2.03E-12mmHg at 25°C
• Melting Point: 215-217 °C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 464.6 °C at 760 mmHg
• Flash Point: 204.2 °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-(3-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(=C1)C(=O)O)[N+](=O)[O-])C(C=O)C=O