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CAS No.: | 34136-59-9 |
---|---|
Name: | 2-ETHYLBENZONITRILE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H9N |
Molecular Weight: | 131.177 |
Synonyms: | Benzonitrile,o-ethyl- (6CI,7CI,8CI);2-Ethylbenzonitrile;o-Ethylbenzonitrile;a-Methyl-o-toluonitrile; |
Density: | 0.98 g/cm3 |
Melting Point: | 51.75°C (estimate) |
Boiling Point: | 209.6 °C at 760 mmHg |
Flash Point: | 80.2 °C |
Hazard Symbols: | Xi |
PSA: | 23.79000 |
LogP: | 2.12068 |
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The Benzonitrile, 2-ethyl- is an organic compound with the formula C9H9N. The IUPAC name of this chemical is 2-Ethylbenzonitrile. With the CAS registry number 34136-59-9, it is also named as Ethylbenzonitrile. The product's categories are C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Besides, it should be stored in a cool, lightproof place.
Physical properties about Benzonitrile, 2-ethyl- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 60.43; (5)ACD/BCF (pH 7.4): 60.43; (6)ACD/KOC (pH 5.5): 655.59; (7)ACD/KOC (pH 7.4): 655.59; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 40.57 cm3; (13)Molar Volume: 132.6 cm3; (14)Polarizability: 16.08×10-24 cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 0.98 g/cm3; (17)Flash Point: 80.2 °C; (18)Enthalpy of Vaporization: 44.58 kJ/mol; (19)Boiling Point: 209.6 °C at 760 mmHg; (20)Vapour Pressure: 0.201 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3-Methyl-4-methylene-3,4-dihydro-benzo[d][1,2,3]triazine. The reaction temperature is 400 °C. The yield is about 40%.
Uses of Benzonitrile, 2-ethyl-: it can be used to produce 2-Ethyl-benzoic acid at temperature of 170 °C. It will need reagent KOH and solvent ethane-1,2-diol with reaction time of 6.5 hours. The yield is about 84%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
(2)InChIKey: UZDXATQPJOOHQJ-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
(4)Std. InChIKey: UZDXATQPJOOHQJ-UHFFFAOYSA-N