1-(Mesitylmethyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazole-5-Carboxylic Acid
[CAS# 306937-05-3]

Identification

• Name: 1-(Mesitylmethyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazole-5-Carboxylic Acid
• Synonyms: 1H-PYRAZOLE-5-CARBOXYLICACID, 3-(1,1-DIMETHYLETHYL)-1-[(2,4,6-TRIMETHYLPHENYL)METHYL]-; 2-[(3-tert-Butyl-5-carboxy-1H-pyrazol-1-yl)methyl]mesitylene; 3-(TERT-BUTYL)-1-(MESITYLMETHYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
• Molecular Formula: C₁₈H₂₄N₂O₂
• Molecular Weight: 300.40
• CAS Registry Number: 306937-05-3
• SMILES: O=C(O)c1cc(nn1Cc2c(cc(cc2C)C)C)C(C)(C)C
• InChI: 1S/C18H24N2O2/c1-11-7-12(2)14(13(3)8-11)10-20-15(17(21)22)9-16(19-20)18(4,5)6/h7-9H,10H2,1-6H3,(H,21,22)
• InChIKey: NJFBQPMGXYRKFX-UHFFFAOYSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Melting point: 182-184°C (Expl.)
• Boiling point: 478.62°C at 760 mmHg (Cal.)
• Flash point: 243.261°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: Irritant