[[3-[Bis(2-Chloroethyl)Amino]-4-Methylphenyl]-Hydroxy-Phosphonomethyl]Phosphonic Acid
[CAS# 106871-13-0]

Identification

• Name: [[3-[Bis(2-Chloroethyl)Amino]-4-Methylphenyl]-Hydroxy-Phosphonomethyl]Phosphonic Acid
• Synonyms: [[3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Phenyl]-Hydroxy-Phosphono-Methyl]Phosphonic Acid; Ccris 1232; Phosphonic Acid, ((3-(Bis(2-Chloroethyl)Amino)-4-Methylphenyl)Hydroxymethylene)Bis-
• Molecular Formula: C₁₂H₁₉Cl₂NO₇P₂
• Molecular Weight: 422.14
• CAS Registry Number: 106871-13-0
• SMILES: C1=C(C(=CC=C1C(O)([P](=O)(O)O)[P](=O)(O)O)C)N(CCCl)CCCl
• InChI: 1S/C12H19Cl2NO7P2/c1-9-2-3-10(8-11(9)15(6-4-13)7-5-14)12(16,23(17,18)19)24(20,21)22/h2-3,8,16H,4-7H2,1H3,(H2,17,18,19)(H2,20,21,22)
• InChIKey: SBZOGCANHKAYKV-UHFFFAOYSA-N

Properties

• Density: 1.672g/cm³ (Cal.)
• Boiling point: 720.257°C at 760 mmHg (Cal.)
• Flash point: 389.398°C (Cal.)