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| CAS No.: | 667400-41-1 |
|---|---|
| Name: | 4-(4-CHLOROPHENYL)-3-METHYL-1H-PYRAZOLE |
| Molecular Structure: | |
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| Formula: | C10H9ClN2 |
| Molecular Weight: | 192.64 |
| Synonyms: | 4-(3-Chlorophenyl)-3-methyl-1H-pyrazole; |
| Density: | 1.246 g/cm3 |
| Melting Point: | 155-156 °C |
| Boiling Point: | 349.5 °C at 760 mmHg |
| Flash Point: | 196.1 °C |
| PSA: | 28.68000 |
| LogP: | 3.03850 |
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- Total:26 Page 1 of 1 1
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Specification
The 1H-Pyrazole,4-(4-chlorophenyl)-3-methyl-, with the CAS registry number 667400-41-1, is also known as 4-(3-Chlorophenyl)-3-methyl-1H-pyrazole. This chemical's molecular formula is C10H9ClN2 and molecular weight is 192.64486. Its IUPAC name is called 4-(4-chlorophenyl)-5-methyl-1H-pyrazole.
Physical properties of 1H-Pyrazole,4-(4-chlorophenyl)-3-methyl-: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3.3; (3)ACD/LogD (pH 7.4): 3.3; (4)ACD/BCF (pH 5.5): 190.94; (5)ACD/BCF (pH 7.4): 191.3; (6)ACD/KOC (pH 5.5): 1492.93; (7)ACD/KOC (pH 7.4): 1495.76; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 53.08 cm3; (13)Molar Volume: 154.4 cm3; (14)Surface Tension: 48.5 dyne/cm; (15)Density: 1.246 g/cm3; (16)Flash Point: 196.1 °C; (17)Enthalpy of Vaporization: 57.05 kJ/mol; (18)Boiling Point: 349.5 °C at 760 mmHg; (19)Vapour Pressure: 9.44E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=NN1)C2=CC=C(C=C2)Cl
(2)InChI: InChI=1S/C10H9ClN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
(3)InChIKey: GIPOXCHFUQCEPZ-UHFFFAOYSA-N