Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester

Base Information

• Chemical Name: Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester
• CAS No.: 866-65-9
• Molecular Formula: C6H6N6O14
• Molecular Weight: 386.1436
• NSC Number: 312445
• DSSTox Substance ID: DTXSID70156361
• Nikkaji Number: J655.965D
• Wikidata: Q83024413
• Mol file: 866-65-9.mol

Synonyms:BUTYRIC ACID, 4,4,4-TRINITRO-, 2,2,2-TRINITROETHYL ESTER;4,4,4-Trinitrobutyric acid 2,2,2-trinitroethyl ester;13013-01-9;NSC312445;866-65-9;SCHEMBL9110836;C6H6N6O14;DTXSID70156361;C6-H6-N6-O14;NSC-312445;LS-48207;2,2,2-trinitroethyl-4,4,4-trinitrobutanoate;2,2,2-trinitroethyl-4,4,4-trinitrobutyrate;butanoic acid, 4,4,4-trinitro-2,2,2-trinitroethyl ester;Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester

Chemical Property of Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester

Chemical Property:

• Vapor Pressure: 8.72E-07mmHg at 25°C
• Boiling Point: 405.5°Cat760mmHg
• Flash Point: 167.2°C
• Density: 1.857g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 385.99419889
• Heavy Atom Count: 26
• Complexity: 580

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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