5-[Bis(2-Chloroethyl)Amino]-N-(2-Dimethylaminoethyl)-2,4-Dinitrobenzamide
[CAS# 142439-63-2]

Identification

• Name: 5-[Bis(2-Chloroethyl)Amino]-N-(2-Dimethylaminoethyl)-2,4-Dinitrobenzamide
• Synonyms: 5-[Bis(2-Chloroethyl)Amino]-N-(2-Dimethylaminoethyl)-2,4-Dinitro-Benzamide; 5-(Bis(2-Chloroethyl)Amino)-N-(2-(Dimethylamino)Ethyl)-2,4-Dinitrobenzamide; Benzamide, 5-(Bis(2-Chloroethyl)Amino)-N-(2-(Dimethylamino)Ethyl)-2,4-Dinitro-
• Molecular Formula: C₁₅H₂₁Cl₂N₅O₅
• Molecular Weight: 422.27
• CAS Registry Number: 142439-63-2
• SMILES: C1=C(C(=CC(=C1N(CCCl)CCCl)[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCN(C)C
• InChI: 1S/C15H21Cl2N5O5/c1-19(2)8-5-18-15(23)11-9-13(20(6-3-16)7-4-17)14(22(26)27)10-12(11)21(24)25/h9-10H,3-8H2,1-2H3,(H,18,23)
• InChIKey: KHXWXJZPAQGKDJ-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 556.971°C at 760 mmHg (Cal.)
• Flash point: 290.646°C (Cal.)