1H-Pyrazole-3-carbonitrile,1-methyl- supplier

Name
1-methyl-1h-pyrazole-3-carbonitrile
EINECS 604-604-1
CAS No. 79080-39-0
Article Data3
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point 41.5 °C
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-3-carbonitrile;3-Cyano-1-methylpyrazole;
PSA 41.61000
LogP 0.29178

1H-Pyrazole-3-carbonitrile,1-methyl- Specification

The 1H-Pyrazole-3-carbonitrile,1-methyl- is an organic compound with the formula C₅H₅N₃. The systematic name of this chemical is 1-methyl-1H-pyrazole-3-carbonitrile. With the CAS registry number 79080-39-0, it is also named as 1-methylpyrazole-3-carbonitrile. The product's category is Nitrile.

Physical properties about 1H-Pyrazole-3-carbonitrile,1-methyl- are: (1)ACD/LogP: -0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14; (5)ACD/KOC (pH 7.4): 14; (6)#H bond acceptors: 3; (7)Polar Surface Area: 41.61 Å²; (8)Index of Refraction: 1.579; (9)Molar Refractivity: 31.774 cm³; (10)Molar Volume: 95.557 cm³; (11)Polarizability: 12.596×10^-24cm³; (12)Surface Tension: 44.008 dyne/cm; (13)Density: 1.121 g/cm³; (14)Flash Point: 93.033 °C; (15)Enthalpy of Vaporization: 46.685 kJ/mol; (16)Boiling Point: 230.218 °C at 760 mmHg; (17)Vapour Pressure: 0.067 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccn(C)n1
(2)InChI: InChI=1/C5H5N3/c1-8-3-2-5(4-6)7-8/h2-3H,1H3
(3)InChIKey: UOQLZFAAFSUXFE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H5N3/c1-8-3-2-5(4-6)7-8/h2-3H,1H3
(5)Std. InChIKey: UOQLZFAAFSUXFE-UHFFFAOYSA-N

Product Name

1-methyl-1h-pyrazole-3-carbonitrile

1H-Pyrazole-3-carbonitrile,1-methyl- Specification

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