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2-Cyanoanisole

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Name

2-Cyanoanisole

EINECS 229-559-0
CAS No. 6609-56-9 Density 1.08 g/cm3
PSA 33.02000 LogP 1.56688
Solubility Slightly soluble in water Melting Point 24.5°C
Formula C8H7NO Boiling Point 255.5 °C at 760 mmHg
Molecular Weight 133.15 Flash Point 103.4 °C
Transport Information N/A Appearance Colorless to yellow clear liquid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6609-56-9 (2-Methoxybenzonitrile) Hazard Symbols IrritantXi
Synonyms

o-Anisonitrile(6CI,7CI,8CI);2-(Methyloxy)benzonitrile;2-Cyanoanisole;2-Methoxybenzonitrile;o-Cyanoanisole;o-Methoxybenzonitrile;

Article Data 257

2-Cyanoanisole Specification

The Benzonitrile,2-methoxy- with the CAS number 6609-56-9 is also called 2-Cyanoanisole. Both the systematic name and IUPAC name are 2-methoxybenzonitrile. Its molecular formula is C8H7NO. The EINECS registry number is 229-559-0. This chemical belongs to the following product categories: (1)Aromatic Nitriles; (2)Nitriles; (3)C8 to C9; (4)Cyanides/Nitriles; (5)Nitrogen Compounds.

The properties of the Benzonitrile,2-methoxy- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 33.02 Å2; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 37.68 cm3; (11)Molar Volume: 122.5 cm3; (12)Polarizability: 14.93×10-24cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Enthalpy of Vaporization: 49.3 kJ/mol; (15)Vapour Pressure: 0.0162 mmHg at 25°C.

Preparation: This chemical can be prepared by 2-methoxy-benzamide. This reaction needs reagent POCl3 and Na2S2O5.

Uses: This chemical can prepare 5-(2-methoxy-phenyl)-1(2)H-tetrazole. This reaction needs reagent NaN3, acetic acid and butan-1-ol.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccccc1C#N
(2)InChI: InChI=1/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
(3)InChIKey: FSTPMFASNVISBU-UHFFFAOYAU

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