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CAS 5351-07-5 chemical formula,CAS 5351-07-5 MSDS,CAS 5351-07-5 chemical properties

CAS Number 5351-07-5
chem name Benzeneacetonitrile,4-methoxy-a,a-dimethyl
formula C11H13NO
structure
synonyms Hydratroponitrile,p-methoxy-a-methyl- (6CI,8CI);2-(4-Methoxyphenyl)-2-methylpropanenitrile;2-(4-Methoxyphenyl)-2-methylpropionitrile;4-Methoxy-a,a-dimethylbenzyl cyanide;NSC 98;p-Methoxy-a,a-dimethylbenzeneacetonitrile;
properties

CAS Number 5351-07-5 properties (MSDS)

Specification

The CAS register number of Benzeneacetonitrile,4-methoxy-a,a-dimethyl- is 5351-07-5. It also can be called as 4-Methoxy-a,a-dimethylbenzyl cyanide and the systematic name about this chemical is 2-(4-methoxyphenyl)-2-methylpropanenitrile. The molecular formula about this chemical is C11H13NO and the molecular weight is 175.23032. It belongs to the following product categories which include Boron, Nitrile, Thio, & TM-Cpds; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het and so on.

Physical properties about Benzeneacetonitrile,4-methoxy-a,a-dimethyl- are: (1)ACD/LogP: 2.06; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 33.02 Å2; (5)Index of Refraction: 1.502; (6)Molar Refractivity: 51.23 cm3; (7)Molar Volume: 173.5 cm3; (8)Polarizability: 20.3x10-24cm3; (9)Surface Tension: 34.4 dyne/cm; (10)Density: 1.009 g/cm3; (11)Flash Point: 119.8 °C; (12)Enthalpy of Vaporization: 52.39 kJ/mol; (13)Boiling Point: 284.9 °C at 760 mmHg; (14)Vapour Pressure: 0.00289 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-fluoro-4-methoxy-benzene and 2-methyl-propionitrile. This reaction is a kind of substitution and solvent of tetrahydrofuran. This reaction will need reagent of potassium hexamethyldisilazide. The reaction time is 50 hours with reaction temperature of 60 °C. The yield is about 66%.

Benzeneacetonitrile,4-methoxy-a,a-dimethyl- can be prepared by 1-fluoro-4-methoxy-benzene and 2-methyl-propionitrile.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(c1ccc(OC)cc1)(C)C
(2)InChI: InChI=1/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3
(3)InChIKey: CDCRUVGWQJYTFO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3
(5)Std. InChIKey: CDCRUVGWQJYTFO-UHFFFAOYSA-N