2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid supplier

Name
2-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID
EINECS
CAS No. 27363-77-5
Article Data2
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 147-149 °C
Formula C₁₂H₁₂N₂O₂
Boiling Point 385.8 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 187.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, o-(3,5-dimethylpyrazol-1-yl)- (8CI);2-(3,5-Dimethyl-pyrazol-1-yl)-benzoic acid;
PSA 55.12000
LogP 2.18730

2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid Specification

The Benzoic acid,2-(3,5-dimethyl-1H-pyrazol-1-yl)- is an organic compound with the formula C₁₂H₁₂N₂O₂. The systematic name of this chemical is 2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid. With the CAS registry number 27363-77-5, it is also named as 2-(3,5-Dimethyl-pyrazol-1-yl)-benzoic acid. Besides, its molecular weight is 216.24.

The physical properties of Benzoic acid,2-(3,5-dimethyl-1H-pyrazol-1-yl)- are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): -0.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.85; (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: 44.12 Å²; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 61.09 cm³; (14)Molar Volume: 177 cm³; (15)Polarizability: 24.21×10^-24 cm³; (16)Surface Tension: 44.8 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 187.1 °C; (19)Enthalpy of Vaporization: 66.94 kJ/mol; (20)Boiling Point: 385.8 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1n2nc(cc2C)C
(2)Std. InChI: InChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12(15)16/h3-7H,1-2H3,(H,15,16)
(3)Std. InChIKey: LTPVMKDDNQWFOG-UHFFFAOYSA-N

Product Name

2-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID

2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid Specification

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