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39095-25-5

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Basic Information
CAS No.: 39095-25-5
Name: 2,5-Dimethylterephthalonitrile
Article Data: 17
Molecular Structure:
Molecular Structure of 39095-25-5 (2,5-Dimethylterephthalonitrile)
Formula: C10H8N2
Molecular Weight: 156.187
Synonyms: 1,4-Benzenedicarbonitrile, 2,5-dimethyl-;
EINECS: 630-986-3
Density: 1.09 g/cm3
Melting Point: 212 °C
Boiling Point: 337.5 °C at 760 mmHg
Flash Point: 166 °C
PSA: 47.58000
LogP: 2.04676
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Specification

The 2,5-Dimethylterephthalonitrile, with the CAS registry number 39095-25-5, is also known as 1,4-Benzenedicarbonitrile, 2,5-dimethyl-. This chemical's molecular formula is C10H8N2 and molecular weight is 156.18. Its systematic name is called 2,5-dimethylbenzene-1,4-dicarbonitrile.

Physical properties of 2,5-Dimethylterephthalonitrile: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 16.08; (5)ACD/BCF (pH 7.4): 16.08; (6)ACD/KOC (pH 5.5): 254.13; (7)ACD/KOC (pH 7.4): 254.13; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.547; (10)Molar Refractivity: 45.13 cm3; (11)Molar Volume: 142.1 cm3; (12)Surface Tension: 49.5 dyne/cm; (13)Density: 1.09 g/cm3; (14)Flash Point: 166 °C; (15)Enthalpy of Vaporization: 58.08 kJ/mol; (16)Boiling Point: 337.5 °C at 760 mmHg; (17)Vapour Pressure: 0.000104 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(c(C#N)cc1C)C
(2)InChI: InChI=1/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3
(3)InChIKey: ZSJIRGBDYMYVDO-UHFFFAOYAW