3-[Bis(2-Chloroethyl)Aminomethyl]-1,8-Dihydroxyanthracene-9,10-Dione
[CAS# 111822-93-6]

Identification

• Name: 3-[Bis(2-Chloroethyl)Aminomethyl]-1,8-Dihydroxyanthracene-9,10-Dione
• Synonyms: 3-[Bis(2-Chloroethyl)Aminomethyl]-1,8-Dihydroxy-Anthracene-9,10-Dione; 3-[Bis(2-Chloroethyl)Aminomethyl]-1,8-Dihydroxy-9,10-Anthraquinone; 3-Bis((2-Chloroethyl)Amino)Methyl-1,8-Dihydroxy-9,10-Anthraquinone
• Molecular Formula: C₁₉H₁₇Cl₂NO₄
• Molecular Weight: 394.25
• CAS Registry Number: 111822-93-6
• SMILES: C1=C3C(=C(O)C=C1CN(CCCl)CCCl)C(=O)C2=C(O)C=CC=C2C3=O
• InChI: 1S/C19H17Cl2NO4/c20-4-6-22(7-5-21)10-11-8-13-17(15(24)9-11)19(26)16-12(18(13)25)2-1-3-14(16)23/h1-3,8-9,23-24H,4-7,10H2
• InChIKey: ZGEUYISZDDGVTQ-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 528.289°C at 760 mmHg (Cal.)
• Flash point: 273.3°C (Cal.)