3-(2,5-Dimethoxyphenyl)-1H-Pyrazole
[CAS# 181122-45-2]

Identification

• Name: 3-(2,5-Dimethoxyphenyl)-1H-Pyrazole
• Synonyms: 1,4-dimethoxy-2-pyrazol-3-ylbenzene; 3-(2,5-DIMETHOXY-PHENYL)-1H-PYRAZOLE; MFCD02091528
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 204.23
• CAS Registry Number: 181122-45-2
• SMILES: COC1=CC(=C(C=C1)OC)C2=NNC=C2
• InChI: 1S/C11H12N2O2/c1-14-8-3-4-11(15-2)9(7-8)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13)
• InChIKey: JEFGLUGSZPRTEJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 363.8±27.0°C at 760 mmHg (Cal.)
• Flash point: 132.7±14.0°C (Cal.)
• Refractive index: 1.565 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): M. A. Halcrow, H. R. Powell and M. J. Duer. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles, Acta Cryst. (1996). B52, 746-752