Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid |
EINECS | N/A |
CAS No. | 27363-77-5 | Density | 1.22 g/cm3 |
PSA | 55.12000 | LogP | 2.18730 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 2 |
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