1-Methyl-1H-pyrazole-4-carbonitrile supplier

Name
1H-Pyrazole-4-carbonitrile,1-methyl-(9CI)
EINECS
CAS No. 66121-71-9
Article Data12
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point 60 °C(Solv: cyclohexane (110-82-7))
Formula C₅H₅N₃
Boiling Point 230.218 °C at 760 mmHg
Molecular Weight 107.115
Flash Point 93.033 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methylpyrazole-4-carbonitrile;
PSA 41.61000
LogP 0.29178

1-Methyl-1H-pyrazole-4-carbonitrile Specification

The 4-Cyano-1-methylpyrazole, with the CAS registry number of 66121-71-9, is also known as 1-Methylpyrazole-4-carbonitrile. It belongs to the product category of Nitrile. This chemical's molecular formula is C₅H₅N₃ and molecular weight is 107.116. What's more, its systematic name is 1-Methyl-1H-pyrazole-4-carbonitrile.

Physical properties about the 4-Cyano-1-methylpyrazole are: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 41.61 Å²; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 31.774 cm³; (13)Molar Volume: 95.557 cm³; (14)Surface Tension: 44.008 dyne/cm; (15)Density: 1.121 g/cm³; (16)Flash Point: 93.033 °C; (17)Enthalpy of Vaporization: 46.685 kJ/mol; (18)Boiling Point: 230.218 °C at 760 mmHg; (19)Vapour Pressure: 0.067 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cnn(C)c1
(2) InChI: InChI=1/C5H5N3/c1-8-4-5(2-6)3-7-8/h3-4H,1H3
(3) InChIKey: NIBQNKBEGIMBSV-UHFFFAOYAZ

Product Name

1H-Pyrazole-4-carbonitrile,1-methyl-(9CI)

1-Methyl-1H-pyrazole-4-carbonitrile Specification

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