Benzoicacid, 3-(1-methyl-1H-pyrazol-3-yl)- supplier

Name
3-(1-Methyl-1H-pyrazol-3-yl)benzoic acid
EINECS
CAS No. 906352-85-0
Density 1.24 g/cm³
Solubility
Melting Point 167-169 °C
Formula C₁₁H₁₀N₂O₂
Boiling Point 419.6 °C at 760 mmHg
Molecular Weight 202.2093
Flash Point 207.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(1-Methylpyrazol-3-yl)benzoic acid;
PSA 55.12000
LogP 1.78530

Benzoicacid, 3-(1-methyl-1H-pyrazol-3-yl)- Specification

The Benzoicacid, 3-(1-methyl-1H-pyrazol-3-yl)-, with the CAS registry number 906352-85-0, is also known as 3-(1-Methyl-1H-pyrazol-3-yl)benzoic acid. This chemical's molecular formula is C₁₁H₁₀N₂O₂ and molecular weight is 202.2093. What's more, its systematic name is called 3-(1-Methylpyrazol-3-yl)benzoic acid.

Physical properties about Benzoicacid, 3-(1-methyl-1H-pyrazol-3-yl)- are: (1) ACD/LogP: 1.79; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.28; (4) Vapour Pressure: 8.62E-08 mmHg at 25 °C; (5) #H bond acceptors: 4; (6) #H bond donors: 1; (7) #Freely Rotating Bonds: 2; (8) Polar Surface Area: 55.12 Å²; (9) Index of Refraction: 1.617; (10) Molar Refractivity: 56.66 cm³; (11) Molar Volume: 161.8 cm³; (12) Surface Tension: 48.5 dyne/cm; (13) Density: 1.24 g/cm³; (14) Flash Point: 207.6 °C; (15) Enthalpy of Vaporization: 70.99 kJ/mol; (16) Boiling Point: 419.6 °C at 760 mmHg; (17) Melting Point: 167-169 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn1ccc(n1)c2cccc(c2)C(=O)O
(2) InChI: InChI=1/C11H10N2O2/c1-13-6-5-10(12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
(3) InChIKey: NQPMBEUYTBLTAG-UHFFFAOYAS

Product Name

3-(1-Methyl-1H-pyrazol-3-yl)benzoic acid

Benzoicacid, 3-(1-methyl-1H-pyrazol-3-yl)- Specification

Related Products

Hot Products