4-[Bis(2-Chloroethyl)Aminomethyl]-2-Nitrophenol Hydrochloride
[CAS# 77905-50-1]

Identification

• Name: 4-[Bis(2-Chloroethyl)Aminomethyl]-2-Nitrophenol Hydrochloride
• Synonyms: 4-[Bis(2-Chloroethyl)Aminomethyl]-2-Nitro-Phenol Hydrochloride; 4-((Bis(2-Chloroethyl)Amino)Methyl)-2-Nitro-Phenol Hydrochloride; 4-Hydroxy-3-Nitrobenzyl-Bis(2-Chloroethyl)Amine Hydrochloride
• Molecular Formula: C₁₁H₁₅Cl₃N₂O₃
• Molecular Weight: 329.61
• CAS Registry Number: 77905-50-1
• SMILES: [H+].C1=C(CN(CCCl)CCCl)C=CC(=C1[N+]([O-])=O)O.[Cl-]
• InChI: 1S/C11H14Cl2N2O3.ClH/c12-3-5-14(6-4-13)8-9-1-2-11(16)10(7-9)15(17)18;/h1-2,7,16H,3-6,8H2;1H
• InChIKey: HTLJBGVWEGEYEJ-UHFFFAOYSA-N

Properties

• Boiling point: 339.9°C at 760 mmHg (Cal.)
• Flash point: 159.4°C (Cal.)