1,2-Benzenedicarbonitrile,3-(4-methylphenoxy)- supplier

Name
3-(4-METHYLPHENOXY)-1,2-BENZENEDICARBONITRILE
EINECS
CAS No. 116965-13-0
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₀N₂O
Boiling Point 398.7 °C at 760mmHg
Molecular Weight 234.25
Flash Point 162 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-METHYLPHENOXY)-1,2-BENZENEDICARBONITRILE;3-(4-MEHTYLPHENOXY)-1,2-BENZENEDICABONITILE;3-(p-tolyloxy)phthalonitrile
PSA 56.81000
LogP 3.53066

1,2-Benzenedicarbonitrile,3-(4-methylphenoxy)- Specification

This chemical is called 1,2-Benzenedicarbonitrile,3-(4-methylphenoxy)-, and its systematic name is 3-(4-methylphenoxy)phthalonitrile. With the molecular formula of C₁₅H₁₀N₂O, its molecular weight is 234.25. The CAS registry number of this chemical is 116965-13-0.

Other characteristics of the 1,2-Benzenedicarbonitrile,3-(4-methylphenoxy)- can be summarised as followings: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 56.81 Å²; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 66.95 cm³; (11)Molar Volume: 192 cm³; (12)Polarizability: 26.54×10^-24cm³; (13)Surface Tension: 58.5 dyne/cm; (14)Density: 1.21 g/cm³; (15)Flash Point: 162 °C; (16)Enthalpy of Vaporization: 64.94 kJ/mol; (17)Boiling Point: 398.7 °C at 760 mmHg; (18)Vapour Pressure: 1.44E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1)Oc2cccc(C#N)c2C#N
2.InChI: InChI=1/C15H10N2O/c1-11-5-7-13(8-6-11)18-15-4-2-3-12(9-16)14(15)10-17/h2-8H,1H3
3.InChIKey: XJERBWBJRZDWHE-UHFFFAOYAD

Product Name

3-(4-METHYLPHENOXY)-1,2-BENZENEDICARBONITRILE

1,2-Benzenedicarbonitrile,3-(4-methylphenoxy)- Specification

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