[3-Chloro-2-(3-nitrobenzoyl)oxypropyl] 3-nitrobenzoate

Base Information

• Chemical Name: [3-Chloro-2-(3-nitrobenzoyl)oxypropyl] 3-nitrobenzoate
• CAS No.: 75645-14-6
• Molecular Formula: C17H13 Cl N2 O8
• Molecular Weight: 408.75
• DSSTox Substance ID: DTXSID60997083
• Mol file: 75645-14-6.mol

Synonyms:alpha-chlorohydrin-bis(3-nitrobenzoate);alpha-chlorohydrin-bis(meta-nitrobenzoate);alpha-chlorohydrin-BMNB

Chemical Property of [3-Chloro-2-(3-nitrobenzoyl)oxypropyl] 3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 3.64E-14mmHg at 25°C
• Boiling Point: 595.9°C at 760 mmHg
• Flash Point: 314.2°C
• PSA: 144.24000
• Density: 1.469g/cm³
• LogP: 4.17060
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 408.0360431
• Heavy Atom Count: 28
• Complexity: 591

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(CCl)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]