Benzeneacetonitrile,2,3,5,6-tetramethyl- supplier

Name
2,3,5,6-TETRAMETHYLPHENYLACETONITRILE
EINECS
CAS No. 14611-44-0
Article Data5
CAS DataBase
Density 0.958 g/cm³
Solubility
Melting Point 83-85°C
Formula C₁₂H₁₅N
Boiling Point 301.6 °C at 760 mmHg
Molecular Weight 173.258
Flash Point 145.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
PSA 23.79000
LogP 2.98628

Benzeneacetonitrile,2,3,5,6-tetramethyl- Specification

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

Product Name

2,3,5,6-TETRAMETHYLPHENYLACETONITRILE

Benzeneacetonitrile,2,3,5,6-tetramethyl- Specification

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