3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Isopropyl Ester
[CAS# 21447-81-4]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Isopropyl Ester
• Synonyms: Isopropyl 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoate; 3-[Bis(2-Chloroethyl)Amino]-4-Methylbenzoic Acid Isopropyl Ester; 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoic Acid Isopropyl Ester
• Molecular Formula: C₁₅H₂₁Cl₂NO₂
• Molecular Weight: 318.24
• CAS Registry Number: 21447-81-4
• SMILES: C1=CC(=C(C=C1C(OC(C)C)=O)N(CCCl)CCCl)C
• InChI: 1S/C15H21Cl2NO2/c1-11(2)20-15(19)13-5-4-12(3)14(10-13)18(8-6-16)9-7-17/h4-5,10-11H,6-9H2,1-3H3
• InChIKey: RBDRSDNCAYGHIW-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 422.033°C at 760 mmHg (Cal.)
• Flash point: 209.038°C (Cal.)