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Basic Information
CAS No.: 58059-47-5
Name: 3-AMINO-6-(4-CHLOROPHENYL)PYRIDAZINE
Article Data: 7
Molecular Structure:
Molecular Structure of 58059-47-5 (3-AMINO-6-(4-CHLOROPHENYL)PYRIDAZINE)
Formula: C10H8ClN3
Molecular Weight: 205.647
Synonyms: 6-(4-Chlorophenyl)-3-pyridazinamine;
Density: 1.323 g/cm3
Boiling Point: 427.502 °C at 760 mmHg
Flash Point: 212.346 °C
Hazard Symbols: IrritantXi
PSA: 51.80000
LogP: 2.96040
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Specification

The 3-Pyridazinamine,6-(4-chlorophenyl)-, with the CAS registry number 58059-47-5, is also known as 6-(4-Chlorophenyl)-3-pyridazinamine. This chemical's molecular formula is C10H8ClN3 and molecular weight is 205.6436. What's more, its systematic name is called 6-(4-Chlorophenyl)pyridazin-3-amine.

Physical properties about 3-Pyridazinamine,6-(4-chlorophenyl)- are: (1)ACD/LogP: 2.40; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 188; (8)ACD/KOC (pH 7.4): 287; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 56.158 cm3; (15)Molar Volume: 155.397 cm3; (16)Polarizability: 22.263×10-24 cm3; (17)Surface Tension: 58.973 dyne/cm; (18)Density: 1.323 g/cm3; (19)Flash Point: 212.346 °C; (20)Enthalpy of Vaporization: 68.248 kJ/mol; (21)Boiling Point: 427.502 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)c2ccc(N)nn2
(2) InChI: InChI=1/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H,(H2,12,14)
(3) InChIKey: UPKPYBJMJKISBG-UHFFFAOYAP