5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile supplier

Name
5-Chloro-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 104771-35-9
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₉H₅ClN₄
Boiling Point 395 °C at 760 mmHg
Molecular Weight 204.62
Flash Point 192.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms RD-0175;5-chloro-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile;5-CHLORO-1-(2-PYRIDINYL)-1H-PYRAZOLE-4-CARBONITRILE;
PSA 54.50000
LogP 1.79238

5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile Specification

This chemical is called 5-Chloro-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile, and its CAS registry number is 104771-35-9. With the molecular formula of C₉H₅ClN₄, its molecular weight is 204.62.

Other characteristics of the 5-Chloro-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile can be summarised as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.76; (6)ACD/BCF (pH 7.4): 39.76; (7)ACD/KOC (pH 5.5): 485.8; (8)ACD/KOC (pH 7.4): 485.8; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.5 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 55.5 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 22×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 64.52 kJ/mol; (21)Boiling Point: 395 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2cnn(c1ncccc1)c2Cl
2.InChI: InChI=1/C9H5ClN4/c10-9-7(5-11)6-13-14(9)8-3-1-2-4-12-8/h1-4,6H
3.InChIKey: NIXVPQMMKUUEHU-UHFFFAOYAK

Product Name

5-Chloro-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile

5-Chloro-1-(2-pyridinyl)-1H-pyrazole-4-carbonitrile Specification

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