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129842-38-2

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Basic Information
CAS No.: 129842-38-2
Name: 1-Chloro-4-(3,4-dimethylphenyl)phthalazine
Molecular Structure:
Molecular Structure of 129842-38-2 (1-Chloro-4-(3,4-dimethylphenyl)phthalazine)
Formula: C16H13ClN2
Molecular Weight: 268.7408
Synonyms: 1-Chloro-4-(3,4-dimethylphenyl)phthalazine (IM OCS);
Density: 1.222 g/cm3
Melting Point: 151-153℃
Boiling Point: 456.1 °C at 760 mmHg
Flash Point: 262 °C
PSA: 25.78000
LogP: 4.56700
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Specification

The 1-Chloro-4-(3,4-dimethylphenyl)phthalazine, with the CAS registry number 129842-38-2, is also known as Phthalazine, 1-chloro-4-(3,4-dimethylphenyl)-. This chemical's molecular formula is C16H13ClN2 and molecular weight is 268.7408. What's more, its systematic name is called 1-Chloro-4-(3,4-dimethylphenyl)phthalazine.

Physical properties about 1-Chloro-4-(3,4-dimethylphenyl)phthalazine are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.642; (8)Molar Refractivity: 79.41 cm3; (9)Molar Volume: 219.7 cm3; (10)Surface Tension: 49.8 dyne/cm; (11)Density: 1.222 g/cm3; (12)Flash Point: 262 °C; (13)Enthalpy of Vaporization: 68.85 kJ/mol; (14)Boiling Point: 456.1 °C at 760 mmHg; (15)Vapour Pressure: 4.51E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nnc(c1c2cccc1)c3ccc(c(c3)C)C
(2) InChI: InChI=1/C16H13ClN2/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)16(17)19-18-15/h3-9H,1-2H3
(3) InChIKey: GYYXXMBDNZTEND-UHFFFAOYAE