Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Methoxy-2-methylphenylacetonitrile |
EINECS | N/A |
CAS No. | 262298-02-2 | Density | 1.034 g/cm3 |
PSA | 33.02000 | LogP | 2.06968 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11NO | Boiling Point | 291.402 °C at 760 mmH |
Molecular Weight | 161.203 | Flash Point | 122.633 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(4-Methoxy-2-methylphenyl)acetonitrile;2-Methyl-4-methoxyphenylacetonitrile;benzeneacetonitrile, 4-methoxy-2-methyl-; |
Article Data | 4 |
The 4-Methoxy-2-methylphenylacetonitrile, with the CAS registry number 262298-02-2, has the systematic name of (4-methoxy-2-methylphenyl)acetonitrile. The molecular formula of the chemical is C10H11NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 33.02 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 47.21 cm3; (9)Molar Volume: 155.9 cm3; (10)Polarizability: 18.71×10-24cm3; (11)Surface Tension: 37.7 dyne/cm; (12)Density: 1.033 g/cm3; (13)Flash Point: 122.6 °C; (14)Enthalpy of Vaporization: 53.08 kJ/mol; (15)Boiling Point: 291.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00195 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CCc1c(cc(OC)cc1)C
(2)InChI: InChI=1/C10H11NO/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-4,7H,5H2,1-2H3
(3)InChIKey: IXOPCMZOHYZDMX-UHFFFAOYAG