Benzoicacid, 3-(1-methyl-1H-pyrazol-5-yl)- supplier

Name
3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid
EINECS
CAS No. 628297-55-2
Density 1.24 g/cm³
Solubility
Melting Point 138.5 °C
Formula C₁₁H₁₀N₂O₂
Boiling Point 419.6 °C at 760 mmHg
Molecular Weight 202.21
Flash Point 207.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid;
PSA 55.12000
LogP 1.78530

Benzoicacid, 3-(1-methyl-1H-pyrazol-5-yl)- Specification

The Benzoicacid, 3-(1-methyl-1H-pyrazol-5-yl)- has the CAS registry number 628297-55-2. This chemical's molecular formula is C₁₁H₁₀N₂O₂ and molecular weight is 202.21. What's more, its systematic name is 3-(1-methyl-1H-pyrazol-5-yl)benzoic acid.

Physical properties of Benzoicacid, 3-(1-methyl-1H-pyrazol-5-yl)- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 55.12 Å²; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 56.66 cm³; (14)Molar Volume: 161.8 cm³; (15)Polarizability: 22.46×10^-24cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.24 g/cm³; (18)Flash Point: 207.6 °C; (19)Enthalpy of Vaporization: 70.99 kJ/mol; (20)Boiling Point: 419.6 °C at 760 mmHg; (21)Vapour Pressure: 8.62E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn2nccc2c1cc(ccc1)C(O)=O
(2)InChI: InChI=1S/C11H10N2O2/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
(3)InChIKey: OBOMYSVFLSMYLV-UHFFFAOYSA-N

Product Name

3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid

Benzoicacid, 3-(1-methyl-1H-pyrazol-5-yl)- Specification

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