2-(2,4,5-Trimethylphenyl)acetonitrile supplier

Name
2,4,5-TRIMETHYLPHENYLACETONITRILE
EINECS
CAS No. 75279-58-2
Density 0.968g/cm³
Solubility
Melting Point 29-31°C
Formula C₁₁H₁₃N
Boiling Point 279.5 °C at 760 mmHg
Molecular Weight 159.231
Flash Point 132.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,5-Trimethylphenylacetonitrile;
PSA 23.79000
LogP 2.67788

2-(2,4,5-Trimethylphenyl)acetonitrile Specification

This chemical is called 2-(2,4,5-Trimethylphenyl)acetonitrile, and it's also named as 2,4,5-Trimethylphenylacetonitrile. With the molecular formula of C₁₁H₁₃N, its molecular weight is 159.23. The CAS registry number of this chemical is 75279-58-2.

Other characteristics of the 2-(2,4,5-Trimethylphenyl)acetonitrile can be summarised as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.22; (6)ACD/BCF (pH 7.4): 83.22; (7)ACD/KOC (pH 5.5): 824.32; (8)ACD/KOC (pH 7.4): 824.32; (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: 1.522; (14)Molar Refractivity: 50.19 cm³; (15)Molar Volume: 164.4 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 0.968 g/cm³; (19)Flash Point: 132.4 °C; (20)Enthalpy of Vaporization: 51.82 kJ/mol; (21)Boiling Point: 279.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00399 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#CCc1cc(c(cc1C)C)C
2.InChI: InChI=1/C11H13N/c1-8-6-10(3)11(4-5-12)7-9(8)2/h6-7H,4H2,1-3H3
3.InChIKey: MSZOPWWSWGLPST-UHFFFAOYAQ

Product Name

2,4,5-TRIMETHYLPHENYLACETONITRILE

2-(2,4,5-Trimethylphenyl)acetonitrile Specification

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