2-(1H-Pyrazol-3-yl)acetonitrile supplier

Name
2-(1H-Pyrazol-3-yl)acetonitrile
EINECS
CAS No. 135237-01-3
Density 1.229 g/cm³
Solubility
Melting Point
Formula C₅H₅N₃
Boiling Point 334.832 °C at 760 mmHg
Molecular Weight 107.115
Flash Point 118.236 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1H-PYRAZOL-3-YL)ACETONITRILE;(1H-Pyrazol-3-yl)-acetonitrile;3-Pyrazolylacetonitrile
PSA 52.47000
LogP 0.47578

2-(1H-Pyrazol-3-yl)acetonitrile Specification

The 2-(1H-Pyrazol-3-yl)acetonitrile, with the CAS registry number 135237-01-3, is also known as 3-Pyrazolylacetonitrile. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₅H₅N₃ and molecular weight is 107.11. What's more, its systematic name is called 1H-Pyrazol-3-ylacetonitrile.

Physical properties about 2-(1H-Pyrazol-3-yl)acetonitrile are: (1)ACD/LogP: -0.307; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 16.22; (8)ACD/KOC (pH 7.4): 16.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.47 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 28.24 cm³; (15)Molar Volume: 87.18 cm³; (16)Polarizability: 11.195×10^-24cm³; (17)Surface Tension: 63.312 dyne/cm; (18)Density: 1.229 g/cm³; (19)Flash Point: 118.236 °C; (20)Enthalpy of Vaporization: 57.783 kJ/mol; (21)Boiling Point: 334.832 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCc1ccnn1
(2) InChI: InChI=1S/C5H5N3/c6-3-1-5-2-4-7-8-5/h2,4H,1H2,(H,7,8)
(3) InChIKey: IGBOXGVHHSLXPE-UHFFFAOYSA-N

Product Name

2-(1H-Pyrazol-3-yl)acetonitrile

2-(1H-Pyrazol-3-yl)acetonitrile Specification

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