3-[Bis(2-Chloroethyl)Amino]-P-Toluic Acid Methyl Ester
[CAS# 18583-88-5]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-P-Toluic Acid Methyl Ester
• Synonyms: Methyl 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoate; 3-[Bis(2-Chloroethyl)Amino]-4-Methylbenzoic Acid Methyl Ester; 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoic Acid Methyl Ester
• Molecular Formula: C₁₃H₁₇Cl₂NO₂
• Molecular Weight: 290.19
• CAS Registry Number: 18583-88-5
• SMILES: C1=CC(=C(C=C1C(OC)=O)N(CCCl)CCCl)C
• InChI: 1S/C13H17Cl2NO2/c1-10-3-4-11(13(17)18-2)9-12(10)16(7-5-14)8-6-15/h3-4,9H,5-8H2,1-2H3
• InChIKey: RMYQWYZCXZASAT-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 401.909°C at 760 mmHg (Cal.)
• Flash point: 196.868°C (Cal.)