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4-Chloro-1-methylpyrazole

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Name

4-Chloro-1-methylpyrazole

EINECS N/A
CAS No. 35852-81-4 Density 1.269 g/cm3
PSA 17.82000 LogP 1.07350
Solubility N/A Melting Point N/A
Formula C4H5ClN2 Boiling Point 169.421 °C at 760 mmHg
Molecular Weight 116.55 Flash Point 56.264 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35852-81-4 (4-Chloro-1-methylpyrazole) Hazard Symbols N/A
Synonyms

4-Chloro-1-methylpyrazole;

Article Data 4

4-Chloro-1-methylpyrazole Specification

The 4-Chloro-1-methylpyrazole with the cas number 35852-81-4 is also called 1H-Pyrazole,4-chloro-1-methyl-. The systematic name is 4-chloro-1-methyl-1H-pyrazole. Its molecular formula is C4H5ClN2. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical 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): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 62; (8)ACD/KOC (pH 7.4): 62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 29.851 cm3; (15)Molar Volume: 91.864 cm3; (16)Polarizability: 11.834×10-24cm3; (17)Surface Tension: 38.746 dyne/cm; (18)Enthalpy of Vaporization: 38.917 kJ/mol; (19)Vapour Pressure: 2.045 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnn(C)c1
(2)InChI: InChI=1/C4H5ClN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
(3)InChIKey: PGNUBDXGTOZIHC-UHFFFAOYAB

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