Products Categories
CAS No.: | 14611-44-0 |
---|---|
Name: | 2,3,5,6-TETRAMETHYLPHENYLACETONITRILE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H15N |
Molecular Weight: | 173.258 |
Synonyms: | Acetonitrile,(2,3,5,6-tetramethylphenyl)- (6CI,8CI);(2,3,5,6-Tetramethylphenyl)acetonitrile;2-(2,3,5,6-Tetramethylphenyl)acetonitrile;(2,3,5,6-tetramethylphenyl)acetonitrile; |
Density: | 0.958 g/cm3 |
Melting Point: | 83-85°C |
Boiling Point: | 301.6 °C at 760 mmHg |
Flash Point: | 145.3 °C |
Hazard Symbols: | Xi |
PSA: | 23.79000 |
LogP: | 2.98628 |
What can I do for you?
Get Best Price
The Benzeneacetonitrile,2,3,5,6-tetramethyl-, with the CAS registry number 14611-44-0, has the systematic name of (2,3,5,6-tetramethylphenyl)acetonitrile. And the molecular formula of this chemical is C12H15N. In addition, it is a kind of irritant chemical, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetonitrile,2,3,5,6-tetramethyl- are as following: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.15; (6)ACD/BCF (pH 7.4): 186.15; (7)ACD/KOC (pH 5.5): 1466.82; (8)ACD/KOC (pH 7.4): 1466.82; (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: 1.52; (14)Molar Refractivity: 55.01 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 21.8×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.958 g/cm3; (19)Flash Point: 145.3 °C; (20)Enthalpy of Vaporization: 54.17 kJ/mol; (21)Boiling Point: 301.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1c(c(cc(c1C)C)C)C
(2)InChI: InChI=1/C12H15N/c1-8-7-9(2)11(4)12(5-6-13)10(8)3/h7H,5H2,1-4H3
(3)InChIKey: RGNMZRMZCWNPPU-UHFFFAOYAV