Pyrolan
[CAS# 87-47-8]

Identification

• Name: Pyrolan
• Synonyms: (5-Methyl-2-Phenyl-Pyrazol-3-Yl) N,N-Dimethylcarbamate; N,N-Dimethylcarbamic Acid (5-Methyl-2-Phenyl-3-Pyrazolyl) Ester; N,N-Dimethylcarbamic Acid (5-Methyl-2-Phenyl-Pyrazol-3-Yl) Ester
• Molecular Formula: C₁₃H₁₅N₃O₂
• Molecular Weight: 245.28
• CAS Registry Number: 87-47-8
• SMILES: C1=CC=CC(=C1)[N]2C(=CC(=N2)C)OC(N(C)C)=O
• InChI: 1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3
• InChIKey: GEDIWDLJKRKBFT-UHFFFAOYSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Melting point: 50°C (Expl.)
• Boiling point: 371.924°C at 760 mmHg (Cal.)
• Flash point: 178.734°C (Cal.)

Safety Data

• Safety Description: Safety glasses, gloves, good ventilation.

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493