2-Methoxy-5-methylbenzonitrile supplier

Name
2-Methoxy-5-methylbenzonitrile
EINECS
CAS No. 53078-70-9
Article Data3
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₉H₉NO
Boiling Point 277.5 °C at 760 mmHg
Molecular Weight 147.177
Flash Point 116.5 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms o-Anisonitrile,5-methyl- (6CI);2-Cyano-4-methylanisole;2-Methoxy-5-methylbenzonitrile;
PSA 33.02000
LogP 1.87528

2-Methoxy-5-methylbenzonitrile Specification

The Systematic name about this chemical is 2-methoxy-5-methylbenzonitrile. The cas register number of 2-Methoxy-5-methylbenzonitrile is 53078-70-9. It also can be called as benzonitrile, 2-methoxy-5-methyl-.

Physical properties about 2-Methoxy-5-methylbenzonitrile are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.02Å²; (7)Index of Refraction: 1.522; (8)Molar Refractivity: 42.3 cm³; (9)Molar Volume: 138.6 cm³; (10)Surface Tension: 40.6 dyne/cm; (11)Density: 1.06 g/cm³; (12)Flash Point: 116.5 °C; (13)Enthalpy of Vaporization: 51.61 kJ/mol; (14)Boiling Point: 277.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0045 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by skin contact. People must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1.SMILES: N#Cc1cc(ccc1OC)C
2.InChI: InChI=1/C9H9NO/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,1-2H3
3.InChIKey: MYOASWSDRGHGLN-UHFFFAOYAO
4.Std. InChI: InChI=1S/C9H9NO/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,1-2H3

Product Name

2-Methoxy-5-methylbenzonitrile

2-Methoxy-5-methylbenzonitrile Specification

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