1H-Pyrazole,4-chloro-1,3-dimethyl- supplier

Name
4-CHLORO-1,3-DIMETHYLPYRAZOLE
EINECS
CAS No. 15878-44-1
Article Data2
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₅H₇ClN₂
Boiling Point 184.85 °C at 760 mmHg
Molecular Weight 130.577
Flash Point 65.595 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-1,3-dimethyl-1H-pyrazole;
PSA 17.82000
LogP 1.38190

1H-Pyrazole,4-chloro-1,3-dimethyl- Specification

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%.

1H-Pyrazole,4-chloro-1,3-dimethyl- can be used to produce 4,5-dichloro-1,3-dimethylpyrazole at the temperature of 50-55°C

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

Product Name

4-CHLORO-1,3-DIMETHYLPYRAZOLE

1H-Pyrazole,4-chloro-1,3-dimethyl- Specification

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