2-(2,3-Dimethylphenyl)acetonitrile supplier

Name
2-(2,3-Dimethylphenyl)acetonitrile
EINECS
CAS No. 76574-43-1
Article Data7
CAS DataBase
Density 0.98 g/cm³
Solubility
Melting Point 51-53 °C
Formula C₁₀H₁₁N
Boiling Point 263.334 °C at 760 mmHg
Molecular Weight 145.204
Flash Point 124.603 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Acetonitrile,2,3-xylyl- (6CI);2,3-Dimethylphenylacetonitrile;
PSA 23.79000
LogP 2.36948

2-(2,3-Dimethylphenyl)acetonitrile 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

Product Name

2-(2,3-Dimethylphenyl)acetonitrile

2-(2,3-Dimethylphenyl)acetonitrile Specification

Related Products

Hot Products