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24108-40-5

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Basic Information
CAS No.: 24108-40-5
Name: 3-Phenyl-1,2,4-triazine
Article Data: 4
Molecular Structure:
Molecular Structure of 24108-40-5 (3-Phenyl-1,2,4-triazine)
Formula: C9H7N3
Molecular Weight: 157.175
Synonyms: 3-PHENYL-1,2,4-TRIAZINE
Density: 1.169 g/cm3
Melting Point: 52-53 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
Boiling Point: 329.5 °C at 760 mmHg
Flash Point: 156.1 °C
PSA: 38.67000
LogP: 1.53860
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Specification

The 3-Phenyl-1,2,4-triazine is an organic compound with the formula C9H7N3. The systematic name of this chemical is 3-phenyl-1,2,4-triazine. With the CAS registry number 24108-40-5, it is also named as 1,2,4-Triazine, 3-phenyl-.

Physical properties about 3-Phenyl-1,2,4-triazine are: (1)ACD/LogP: 1.71; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 38.67 Å2; (5)Index of Refraction: 1.586; (6)Molar Refractivity: 45.11 cm3; (7)Molar Volume: 134.3 cm3; (8)Polarizability: 17.88×10-24cm3; (9)Surface Tension: 53.2 dyne/cm; (10)Density: 1.169 g/cm3; (11)Flash Point: 156.1 °C; (12)Enthalpy of Vaporization: 54.93 kJ/mol; (13)Boiling Point: 329.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000339 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nncc1)c2ccccc2
(2)InChI: InChI=1/C9H7N3/c1-2-4-8(5-3-1)9-10-6-7-11-12-9/h1-7H
(3)InChIKey: ADUHCGZLROUKFY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-10-6-7-11-12-9/h1-7H
(5)Std. InChIKey: ADUHCGZLROUKFY-UHFFFAOYSA-N