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207909-05-5

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Basic Information
CAS No.: 207909-05-5
Name: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile
Article Data: 1
Molecular Structure:
Molecular Structure of 207909-05-5 (3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile)
Formula: C11H9N3
Molecular Weight: 183.213
Synonyms: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile;
Density: 1.117 g/cm3
Melting Point: 94 °C
Boiling Point: 349.935 °C at 760 mmHg
Flash Point: 165.435 °C
PSA: 41.61000
LogP: 1.95878
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    3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white crystalline powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use

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  • 3-(1-METHYL-1H-PYRAZOL-3-YL)BENZONITRILE

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    3-(1-METHYL-1H-PYRAZOL-3-YL)BENZONITRILEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Benzonitrile, 3-(1-methyl-1H-pyrazol-3-yl)-, with the CAS registry number 207909-05-5, is also known as 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile 95%. This chemical's molecular formula is C11H9N3 and molecular weight is 183.20926. What's more, its systematic name is called 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile.

Physical properties about Benzonitrile, 3-(1-methyl-1H-pyrazol-3-yl)- are: (1) ACD/LogP: 2.18; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 19; (6) ACD/BCF (pH 7.4): 19; (7) ACD/KOC (pH 5.5): 292; (8) ACD/KOC (pH 7.4): 292; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 41.61 Å2; (13) Index of Refraction: 1.61; (14) Molar Refractivity: 56.879 cm3; (15) Molar Volume: 164.031 cm3; (16) Surface Tension: 44.22 dyne/cm; (17) Density: 1.117 g/cm3; (18) Flash Point: 165.435 °C; (19) Enthalpy of Vaporization: 59.448 kJ/mol; (20) Boiling Point: 349.935 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 94 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2cc(c1nn(cc1)C)ccc2
(2) InChI: InChI=1/C11H9N3/c1-14-6-5-11(13-14)10-4-2-3-9(7-10)8-12/h2-7H,1H3
(3) InChIKey: FLALRGXSUSNEAF-UHFFFAOYAO