Products Categories
CAS No.: | 83405-71-4 |
---|---|
Name: | 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C8H12 N2 O2 |
Molecular Weight: | 168.19300 |
Synonyms: | Pyrazole-3(or5)-carboxylic acid, 5(or 3)-tert-butyl- (6CI,7CI);3-tert-Butyl-5-pyrazolecarboxylic acid; 5-tert-Butyl-1H-pyrazole-3-carboxylicacid; 5-tert-Butylpyrazole-3-carboxylic acid |
Density: | 1.199g/cm3 |
Boiling Point: | 357.2oC at 760 mmHg |
Flash Point: | 169.8oC |
PSA: | 65.98000 |
LogP: | 1.40540 |
What can I do for you?
Get Best Price
Molecular Structure of 3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4):
Systematic Name: 5-tert-Butyl-1H-pyrazole-3-carboxylic acid
Molecular Formula: C8H12N2O2
Molecular Weight: 168.19
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Index of Refraction: 1.541
Molar Refractivity: 44.09 cm3
Molar Volume: 140.1 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.199 g/cm3
Flash Point: 169.8 °C
Enthalpy of Vaporization: 63.58 kJ/mol
Boiling Point: 357.2 °C at 760 mmHg
Vapour Pressure: 1.01E-05 mmHg at 25 °C
SMILES: O=C(O)c1nnc(c1)C(C)(C)C
InChI: InChI=1/C8H12N2O2/c1-8(2,3)6-4-5(7(11)12)9-10-6/h4H,1-3H3,(H,9,10)(H,11,12)
InChIKey: RQRWZFJMPKHYIC-UHFFFAOYAY
Safety Information of 3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4):
Hazard Codes: Xi
HazardClass: IRRITANT
3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4), its Synonyms are Pyrazole-3(or5)-carboxylic acid, 5(or 3)-tert-butyl- (6CI,7CI) ; 3-tert-Butyl-5-pyrazolecarboxylic acid ; 5-tert-Butyl-1H-pyrazole-3-carboxylicacid ; 5-tert-Butylpyrazole-3-carboxylic acid ; 1H-Pyrazole-3-carboxylicacid, 5-(1,1-dimethylethyl)- .