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Benzeneacetonitrile,3-methoxy-4-methyl-

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Name

Benzeneacetonitrile,3-methoxy-4-methyl-

EINECS N/A
CAS No. 64829-31-8 Density 1.033 g/cm3
PSA 33.02000 LogP 2.06968
Solubility N/A Melting Point N/A
Formula C10H11NO Boiling Point 277.6 °C at 760 mmHg
Molecular Weight 161.203 Flash Point 116.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 64829-31-8 (3-METHOXY-4-METHYLPHENYLACETONITRILE) Hazard Symbols IrritantXi
Synonyms

(3-Methoxy-4-methylphenyl)acetonitrile;NSC 148961;

Article Data 2

Benzeneacetonitrile,3-methoxy-4-methyl- Specification

The Benzeneacetonitrile,3-methoxy-4-methyl-, with the CAS registry number 64829-31-8, is also known as 3-Methoxy-4-methylphenylacetonitrile, 99%. This chemical's molecular formula is C10H11NO and molecular weight is 161.2. Its systematic name is called (3-methoxy-4-methylphenyl)acetonitrile. 

Physical properties of Benzeneacetonitrile,3-methoxy-4-methyl-: (1)ACD/LogP: 1.82; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.517; (5)Molar Refractivity: 47.21 cm3; (6)Molar Volume: 155.9 cm3; (7)Surface Tension: 37.7 dyne/cm; (8)Density: 1.033 g/cm3; (9)Flash Point: 116.6 °C; (10)Enthalpy of Vaporization: 51.62 kJ/mol; (11)Boiling Point: 277.6 °C at 760 mmHg; (12)Vapour Pressure: 0.00448 mmHg at 25°C.

Uses of Benzeneacetonitrile,3-methoxy-4-methyl-: it can be used to produce 2-bromo-5-methoxy-4-methylphenylacetonitrile. This reaction will need reagent sodum acetate, bromine and solvent CHCl3 with reaction time of 1 hour. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cc(OC)c(cc1)C
(2)InChI: InChI=1/C10H11NO/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,7H,5H2,1-2H3
(3)InChIKey: KRGXHARSWLJCGO-UHFFFAOYAZ

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