Dodecyl 4-Chloro-3,5-Dinitrobenzoate
[CAS# 94021-87-1]

Identification

• Name: Dodecyl 4-Chloro-3,5-Dinitrobenzoate
• Synonyms: Dodecyl 4-Chloro-3,5-Dinitro-Benzoate; 4-Chloro-3,5-Dinitrobenzoic Acid Dodecyl Ester; 4-Chloro-3,5-Dinitro-Benzoic Acid Lauryl Ester
• Molecular Formula: C₁₉H₂₇ClN₂O₆
• Molecular Weight: 414.89
• CAS Registry Number: 94021-87-1
• EINECS: 301-479-1
• SMILES: C1=C(C=C([N+](=O)[O-])C(=C1[N+]([O-])=O)Cl)C(OCCCCCCCCCCCC)=O
• InChI: 1S/C19H27ClN2O6/c1-2-3-4-5-6-7-8-9-10-11-12-28-19(23)15-13-16(21(24)25)18(20)17(14-15)22(26)27/h13-14H,2-12H2,1H3
• InChIKey: NKXANKOKHSNAJJ-UHFFFAOYSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 505.756°C at 760 mmHg (Cal.)
• Flash point: 259.672°C (Cal.)