4,4,4-Trinitrobutyric acid sec-butyl ester

Base Information

• Chemical Name: 4,4,4-Trinitrobutyric acid sec-butyl ester
• CAS No.: 13012-99-2
• Molecular Formula: C8H13 N3 O8
• Molecular Weight: 279.2041
• DSSTox Substance ID: DTXSID30926608
• Mol file: 13012-99-2.mol

Synonyms:4,4,4-Trinitrobutyric acid sec-butyl ester;13012-99-2;BUTYRIC ACID, 4,4,4-TRINITRO-, sec-BUTYL ESTER;butan-2-yl 4,4,4-trinitrobutanoate;C8H13N3O8;DTXSID30926608;LS-48201

Chemical Property of 4,4,4-Trinitrobutyric acid sec-butyl ester

Chemical Property:

• Vapor Pressure: 5.82E-05mmHg at 25°C
• Boiling Point: 346.3°Cat760mmHg
• Flash Point: 142.1°C
• Density: 1.376g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 279.07026438
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]