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Basic Information
CAS No.: 96450-53-2
Name: 1-(2-CHLOROETHYL)-1H-PYRAZOLE
Article Data: 6
Molecular Structure:
Molecular Structure of 96450-53-2 (1-(2-CHLOROETHYL)-1H-PYRAZOLE)
Formula: C5H7ClN2
Molecular Weight: 130.577
Synonyms: 1-(2-Chloroethyl)-1H-pyrazole;1-(b-Chloroethyl)pyrazole;
Density: 1.19 g/cm3
Boiling Point: 202.7 °C at 760 mmHg
Flash Point: 76.4 °C
PSA: 17.82000
LogP: 1.12190
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Specification

The 1H-Pyrazole,1-(2-chloroethyl)- is an organic compound with the formula C5H7ClN2. The IUPAC name of this chemical is 1-(2-chloroethyl)pyrazole. With the CAS registry number 96450-53-2, it is also named as (2-chloroethyl)pyrazole.

Physical properties about 1H-Pyrazole,1-(2-chloroethyl)- are: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): 0.77; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 2.25; (5)ACD/BCF (pH 7.4): 2.25; (6)ACD/KOC (pH 5.5): 62.17; (7)ACD/KOC (pH 7.4): 62.18; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 34.64 cm3; (13)Molar Volume: 108.9 cm3; (14)Polarizability: 13.73×10-24cm3; (15)Surface Tension: 40.7 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 76.4 °C; (18)Enthalpy of Vaporization: 42.1 kJ/mol; (19)Boiling Point: 202.7 °C at 760 mmHg; (20)Vapour Pressure: 0.41 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCn1nccc1
(2)InChI: InChI=1/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
(3)InChIKey: HUZHIOQELFFZBM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
(5)Std. InChIKey: HUZHIOQELFFZBM-UHFFFAOYSA-N