Basic Information | Post buying leads | Suppliers |
Name |
4-(4-Chlorophenyl)-3-methyl-1H-pyrazole |
EINECS | N/A |
CAS No. | 667400-41-1 | Density | 1.246 g/cm3 |
PSA | 28.68000 | LogP | 3.03850 |
Solubility | N/A | Melting Point |
155-156 °C |
Formula | C10H9ClN2 | Boiling Point | 349.5 °C at 760 mmHg |
Molecular Weight | 192.64 | Flash Point | 196.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(3-Chlorophenyl)-3-methyl-1H-pyrazole; |
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