Methotrexate
[CAS# 91431-42-4]

Identification

• Name: Methotrexate
• Synonyms: (4-Acetoxy-7-Chloro-2,3-Dimethoxy-1-Naphthyl) Acetate; Acetic Acid (4-Acetoxy-7-Chloro-2,3-Dimethoxy-1-Naphthyl) Ester; (4-Acetyloxy-7-Chloro-2,3-Dimethoxy-Naphthalen-1-Yl) Ethanoate
• Molecular Formula: C₁₆H₁₅ClO₆
• Molecular Weight: 338.74
• CAS Registry Number: 91431-42-4
• SMILES: C1=C2C(=CC(=C1)Cl)C(=C(OC)C(=C2OC(C)=O)OC)OC(C)=O
• InChI: 1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
• InChIKey: IFWMVQUGSGWCRP-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 424.857°C at 760 mmHg (Cal.)
• Flash point: 159.346°C (Cal.)