Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Methoxy-5-methylbenzonitrile |
EINECS | N/A |
CAS No. | 53078-70-9 | Density | 1.06 g/cm3 |
PSA | 33.02000 | LogP | 1.87528 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO | Boiling Point | 277.5 °C at 760 mmHg |
Molecular Weight | 147.177 | Flash Point | 116.5 °C |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 3 |
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