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Name |
1H-Pyrazole,4-chloro-1,3-dimethyl- |
EINECS | N/A |
CAS No. | 15878-44-1 | Density | 1.218 g/cm3 |
PSA | 17.82000 | LogP | 1.38190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H7ClN2 | Boiling Point | 184.85 °C at 760 mmHg |
Molecular Weight | 130.577 | Flash Point | 65.595 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-1,3-dimethyl-1H-pyrazole; |
Article Data | 2 |
The 1H-Pyrazole,4-chloro-1,3-dimethyl-, a-methyl- has CAS registry number 15878-44-1. This chemical's molecular formula is C5H7ClN2 and molecular weight is 130.58. What's more, its IUPAC name is 4-chloro-1,3-dimethylpyrazole.
Physical properties of 1H-Pyrazole,4-chloro-1,3-dimethyl- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110; (8)ACD/KOC (pH 7.4): 110; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 34.275 cm3; (15)Molar Volume: 107.218 cm3; (16)Polarizability: 13.588×10-24cm3; (17)Surface Tension: 34.735 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 65.595 °C; (20)Enthalpy of Vaporization: 40.382 kJ/mol; (21)Boiling Point: 184.85 °C at 760 mmHg; (22)Vapour Pressure: 0.984 mmHg at 25°C.
Uses of 1H-Pyrazole,4-chloro-1,3-dimethyl-: it can be used to produce 4,5-dichloro-1,3-dimethylpyrazole at the temperature of 50-55°C. It will need reagent chlorine and solvent CCl4. The yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nn(C)cc1Cl
(2)Std. InChI: InChI=1S/C5H7ClN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
(3)Std. InChIKey: OILOPOQPXXGBIR-UHFFFAOYSA-N