1-Methyl-1H-pyrazole-5-carbonitrile supplier

Name
1-Methyl-1H-pyrazole-5-carbonitrile
EINECS
CAS No. 66121-72-0
Article Data2
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point 23-26 °C(Solv: hexane (110-54-3))
Formula C₅H₅N₃
Boiling Point 230.218 °C at 760 mmHg
Molecular Weight 107.115
Flash Point 93.033 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 1H-Pyrazole-5-carbonitrile, 1-methyl-;5-Cyano-1-methylpyrazole;
PSA 41.61000
LogP 0.29178

1-Methyl-1H-pyrazole-5-carbonitrile Specification

1-Methyl-1H-pyrazole-5-carbonitrile is an organic compound with the formula C₅H₅N₃, and its systematic name is the same with the product name. With the CAS registry number 66121-72-0, it is also named as 1H-Pyrazole-5-carbonitrile, 1-methyl-. In addition, the molecular weight is 107.11.

Physical properties of 1-Methyl-1H-pyrazole-5-carbonitrile are: (1)ACD/LogP: -0.226; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.95; (8)ACD/KOC (pH 7.4): 17.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.61 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.774 cm³; (15)Molar Volume: 95.557 cm³; (16)Polarizability: 12.596×10^-24cm³; (17)Surface Tension: 44.0 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 93.033 °C; (20)Enthalpy of Vaporization: 46.685 kJ/mol; (21)Boiling Point: 230.218 °C at 760 mmHg; (22)Vapour Pressure: 0.067 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccnn1C
(2)Std. InChI: InChI=1S/C5H5N3/c1-8-5(4-6)2-3-7-8/h2-3H,1H3
(3)Std. InChIKey: WMZMVWZFGUVSTA-UHFFFAOYSA-N

Product Name

1-Methyl-1H-pyrazole-5-carbonitrile

1-Methyl-1H-pyrazole-5-carbonitrile Specification

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