| Identification | |
| Name: | Benzeneacetonitrile,3,5-dimethyl- |
| Synonyms: | Acetonitrile,(3,5-xylyl)- (6CI,7CI);(3,5-Dimethylphenyl)acetonitrile;3,5-Dimethylbenzylcyanide; |
| CAS: | 39101-54-7 |
| EINECS: | 254-292-1 |
| Molecular Formula: | C10H11N |
| Molecular Weight: | 145.2 |
| InChI: | InChI=1/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Transport: | 3439 |
| Density: | 0.979 g/cm3 |
| Refractive index: | 1.524 |
| Specification: |
The 3,5-Dimethylphenylacetonitrile with the CAS number 39101-54-7 is also called Benzeneacetonitrile,3,5-dimethyl-. The IUPAC name is 2-(3,5-dimethylphenyl)acetonitrile. Its EINECS registry number is 254-292-1. The molecular formula is C10H11N. The product category is Aromatic Nitriles. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.2; (6)ACD/BCF (pH 7.4): 37.2; (7)ACD/KOC (pH 5.5): 463.25; (8)ACD/KOC (pH 7.4): 463.25; (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: 45.36 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 17.98×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Enthalpy of Vaporization: 49.2 kJ/mol; (19)Vapour Pressure: 0.0172 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Packinggroup: | III |
| Safety Data | |
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