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CAS No.: | 6609-56-9 |
---|---|
Name: | 2-Methoxybenzonitrile |
Article Data: | 257 |
Molecular Structure: | |
Formula: | C8H7NO |
Molecular Weight: | 133.15 |
Synonyms: | o-Anisonitrile(6CI,7CI,8CI);2-(Methyloxy)benzonitrile;2-Cyanoanisole;2-Methoxybenzonitrile;o-Cyanoanisole;o-Methoxybenzonitrile; |
EINECS: | 229-559-0 |
Density: | 1.08 g/cm3 |
Melting Point: | 24.5°C |
Boiling Point: | 255.5 °C at 760 mmHg |
Flash Point: | 103.4 °C |
Solubility: | Slightly soluble in water |
Appearance: | Colorless to yellow clear liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 33.02000 |
LogP: | 1.56688 |
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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