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76972-35-5

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Basic Information
CAS No.: 76972-35-5
Name: 1-CHLORO-4-(4-METHYLPHENYL)PHTHALAZINE
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 76972-35-5 (1-CHLORO-4-(4-METHYLPHENYL)PHTHALAZINE)
Formula: C15H11ClN2
Molecular Weight: 254.719
Synonyms: 1-Chloro-4-p-tolylphthalazine;
Density: 1.251 g/cm3
Melting Point: 159-164℃
Boiling Point: 450.1 °C at 760 mmHg
Flash Point: 258.5 °C
PSA: 25.78000
LogP: 4.25860
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Specification

The Phthalazine,1-chloro-4-(4-methylphenyl)- is an organic compound with the formula C15H11ClN2. With the CAS registry number 76972-35-5, the systematic name of this chemical is 1-chloro-4-(4-methylphenyl)phthalazine.

Physical properties about Phthalazine,1-chloro-4-(4-methylphenyl)- are: (1)ACD/LogP: 3.52; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 25.78 Å2; (5)Index of Refraction: 1.654; (6)Molar Refractivity: 74.58 cm3; (7)Molar Volume: 203.5 cm3; (8)Polarizability: 29.56×10-24cm3; (9)Surface Tension: 51.9 dyne/cm; (10)Density: 1.251 g/cm3; (11)Flash Point: 258.5 °C; (12)Enthalpy of Vaporization: 68.17 kJ/mol; (13)Boiling Point: 450.1 °C at 760 mmHg; (14)Vapour Pressure: 7.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nnc(c1c2cccc1)c3ccc(cc3)C
(2)InChI: InChI=1/C15H11ClN2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3
(3)InChIKey: SBSCJEDEQMLKJY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H11ClN2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3
(5)Std. InChIKey: SBSCJEDEQMLKJY-UHFFFAOYSA-N