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41227-72-9

Basic Information
CAS No.: 41227-72-9
Name: 3-(Chloromethyl)pyridazine
Article Data: 10
Molecular Structure:
Molecular Structure of 41227-72-9 (3-(Chloromethyl)pyridazine)
Formula: C5H5ClN2
Molecular Weight: 128.561
Synonyms: Chloromethyl pyridazine;
Density: 1.241 g/cm3
Boiling Point: 282.3 °C at 760 mmHg
Flash Point: 151.6 °C
PSA: 25.78000
LogP: 1.21540
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    Molecular Formula: C5H5ClN2 Molecular Weight: 128.55Appearance:yellow solid (hydrochloride salt)

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Specification

The Pyridazine, 3-(chloromethyl)-, with the CAS registry number 41227-72-9, is also known as Chloromethyl)pyridazine. This chemical's molecular formula is C5H5ClN2 and molecular weight is 128.56. What's more, its IUPAC name is 3-(chloromethyl)pyridazine.

Physical properties of Pyridazine, 3-(chloromethyl)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.71; (5)ACD/KOC (pH 7.4): 12.71; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 32.2 cm3; (12)Molar Volume: 103.5 cm3; (13)Polarizability: 12.76×10-24cm3; (14)Surface Tension: 46.7 dyne/cm; (15)Density: 1.241 g/cm3; (16)Flash Point: 151.6 °C; (17)Enthalpy of Vaporization: 50.02 kJ/mol; (18)Boiling Point: 282.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00577 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cccnn1
(2)Std. InChI: InChI=1S/C5H5ClN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2
(3)Std. InChIKey: TWCGCUQPXQOQCA-UHFFFAOYSA-N