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CAS No.: | 21864-76-6 |
---|---|
Name: | 2-ETHYL-2-METHYLBUTYRONITRILE |
Molecular Structure: | |
Formula: | C7H13N |
Molecular Weight: | 111.187 |
Synonyms: | 2-ETHYL-2-METHYLBUTYRONITRILE;2-Ethyl-2-methylbutanenitrile;butanenitrile,2-ethyl-2-methyl-;2-Ethyl-2-methylbutyronitrile, pract., 92%;2-ETHYL-2-METHYLBUTYRONITRILE 96%;3-Cyano-3-methylpentane |
Density: | 0.808 g/cm3 |
Boiling Point: | 154 °C at 760 mmHg |
Flash Point: | 36 °C |
Risk Codes: | 23/24/25 |
Safety: | 23-26-36/37/39 |
PSA: | 23.79000 |
LogP: | 2.33628 |
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The 2-Ethyl-2-methyl-butanenitrile has the CAS registry number of 21864-76-6. This chemical's molecular formula is C7H13N and molecular weight is 111.18. What's more, its systematic name is 2-Ethyl-2-methylbutanenitrile.
Physical properties about the 2-Ethyl-2-methyl-butanenitrile are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.83; (6)ACD/BCF (pH 7.4): 14.83; (7)ACD/KOC (pH 5.5): 239.88; (8)ACD/KOC (pH 7.4): 239.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 34.35 cm3; (15)Molar Volume: 137.5 cm3; (16)Surface Tension: 27.1 dyne/cm; (17)Density: 0.808 g/cm3; (18)Flash Point: 36 °C; (19)Enthalpy of Vaporization: 39.07 kJ/mol; (20)Boiling Point: 154 °C at 760 mmHg; (21)Vapour Pressure: 3.25 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Propionitrile with Bromoethane. The reaction needs reagent NaNH2 and solvent Diethyl ether.
When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(C)(CC)CC
(2) InChI: InChI=1/C7H13N/c1-4-7(3,5-2)6-8/h4-5H2,1-3H3
(3) InChIKey: SVVQGVDNIZXKCN-UHFFFAOYAV