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Name |
2-Methyl-3-nitrophenylacetonitrile |
EINECS | N/A |
CAS No. | 23876-14-4 | Density | 1.226 g/cm3 |
PSA | 69.61000 | LogP | 2.49248 |
Solubility | N/A | Melting Point |
85-87 °C |
Formula | C9H8N2O2 | Boiling Point | 339.429 °C at 760 mmHg |
Molecular Weight | 176.175 | Flash Point | 159.081 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetonitrile,(3-nitro-o-tolyl)- (8CI);2-Methyl-3-nitrophenylacetonitrile; |
Article Data | 7 |
The 2-Methyl-3-nitrophenylacetonitrile with the cas number 23876-14-4, is also called Benzeneacetonitrile,2-methyl-3-nitro-. The systematic name is (2-Methyl-3-nitrophenyl)acetonitrile. Its molecular formula is C9H8N2O2. This chemical should be stored in dry and cool environment.
The properties of the chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 69.61 Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 47.086 cm3; (7)Molar Volume: 143.751 cm3; (8)Polarizability: 18.666×10-24cm3; (9)Surface Tension: 51.609 dyne/cm; (10)Enthalpy of Vaporization: 58.288 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of hydrocyanic acid; potassium salt and a-chloro-2-methyl-3-nitrotoluene.
This reaction needs solvent ethanol and H2O. The yield is 99%.
Uses: This chemical can prepare (2-methyl-3-nitro-phenyl)-acetic acid.
This reaction needs reagent H2SO4.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cccc1CC#N)N(=O)=O
(2)InChI: InChI=1/C9H8N2O2/c1-7-8(5-6-10)3-2-4-9(7)11(12)13/h2-4H,5H2,1H3