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| CAS No.: | 76574-43-1 |
|---|---|
| Name: | 2-(2,3-Dimethylphenyl)acetonitrile |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H11N |
| Molecular Weight: | 145.204 |
| Synonyms: | Acetonitrile,2,3-xylyl- (6CI);2,3-Dimethylphenylacetonitrile; |
| Density: | 0.98 g/cm3 |
| Melting Point: | 51-53 °C |
| Boiling Point: | 263.334 °C at 760 mmHg |
| Flash Point: | 124.603 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 23.79000 |
| LogP: | 2.36948 |
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- Total:19 Page 1 of 1 1
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Specification
This chemical is called 2-(2,3-Dimethylphenyl)acetonitrile, and its systematic name is (2,3-dimethylphenyl)acetonitrile. With the molecular formula of C10H11N, its molecular weight is 145.20. The CAS registry number of this chemical is 76574-43-1.
Other characteristics of the 2-(2,3-Dimethylphenyl)acetonitrile can be summarised as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 463; (8)ACD/KOC (pH 7.4): 463; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 45.366 cm3; (15)Molar Volume: 148.184 cm3; (16)Polarizability: 17.984×10-24cm3; (17)Surface Tension: 37.81 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 124.603 °C; (20)Enthalpy of Vaporization: 50.116 kJ/mol; (21)Boiling Point: 263.334 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#CCc1cccc(c1C)C
2.InChI: InChI=1/C10H11N/c1-8-4-3-5-10(6-7-11)9(8)2/h3-5H,6H2,1-2H3
3.InChIKey: UMBJWBJQJMILOQ-UHFFFAOYAJ