alpha-Chlorohydrin-Bis(3-Nitrobenzoate)
[CAS# 75645-14-6]

Identification

• Name: alpha-Chlorohydrin-Bis(3-Nitrobenzoate)
• Synonyms: [1-(Chloromethyl)-2-(3-Nitrobenzoyl)Oxy-Ethyl] 3-Nitrobenzoate; 3-Nitrobenzoic Acid [1-(Chloromethyl)-2-[(3-Nitrophenyl)-Oxomethoxy]Ethyl] Ester; 3-Nitrobenzoic Acid [1-(Chloromethyl)-2-(3-Nitrobenzoyl)Oxy-Ethyl] Ester
• Molecular Formula: C₁₇H₁₃ClN₂O₈
• Molecular Weight: 408.75
• CAS Registry Number: 75645-14-6
• SMILES: C1=C([N+]([O-])=O)C=CC=C1C(OC(COC(=O)C2=CC=CC(=C2)[N+]([O-])=O)CCl)=O
• InChI: 1S/C17H13ClN2O8/c18-9-15(28-17(22)12-4-2-6-14(8-12)20(25)26)10-27-16(21)11-3-1-5-13(7-11)19(23)24/h1-8,15H,9-10H2
• InChIKey: KJOBVSGFGZSCKJ-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 595.874°C at 760 mmHg (Cal.)
• Flash point: 314.174°C (Cal.)