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| Name |
3-tert-Butyl-1H-pyrazole-5-carboxylic acid |
EINECS | N/A |
| CAS No. | 83405-71-4 | Density | 1.199g/cm3 |
| PSA | 65.98000 | LogP | 1.40540 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H12 N2 O2 | Boiling Point | 357.2oC at 760 mmHg |
| Molecular Weight | 168.19300 | Flash Point | 169.8oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
3-tert-Butyl-1H-pyrazole-5-carboxylic acid Chemical Properties
Molecular Structure of 3-tert-Butyl-1H-pyrazole-5-carboxylic acid (CAS NO.83405-71-4):
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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
3-tert-Butyl-1H-pyrazole-5-carboxylic acid Safety Profile
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 Specification
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)- .
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