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CAS No.: | 41933-33-9 |
---|---|
Name: | 2-BENZYL-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C11H8Cl2N2O |
Molecular Weight: | 255.103 |
Synonyms: | 2-Benzyl-4,5-dichloropyridazin-3(2H)-one;4,5-Dichloro-2-(phenylmethyl)-3(2H)-pyridazinone;4,5-Dichloro-2-benzyl-3(2H)-pyridazinone;4,5-dichloro-2-benzyl-2-hydropyridazin-3-one; |
Density: | 1.38 g/cm3 |
Melting Point: | 87ºC |
Boiling Point: | 338 °C at 760 mmHg |
Flash Point: | 158.2 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-45 |
PSA: | 34.89000 |
LogP: | 2.59840 |
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The 3(2H)-Pyridazinone, 4,5-dichloro-2-(phenylmethyl)-, with the CAS registry number 41933-33-9, is also known as 4,5-Dichloro-2-benzyl-2-hydropyridazin-3-one. This chemical's molecular formula is C11H8Cl2N2O and molecular weight is 255.1. What's more, its systematic name is 2-benzyl-4,5-dichloropyridazin-3(2H)-one.
Physical properties of 3(2H)-Pyridazinone, 4,5-dichloro-2-(phenylmethyl)- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 32.67 Å2; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 65.2 cm3; (9)Molar Volume: 184 cm3; (10)Polarizability: 25.84×10-24 cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.38 g/cm3; (13)Flash Point: 158.2 °C; (14)Enthalpy of Vaporization: 58.13 kJ/mol; (15)Boiling Point: 338 °C at 760 mmHg; (16)Vapour Pressure: 0.000101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: ClC=1\C=N/N(C(=O)C=1Cl)Cc2ccccc2
(2)InChI: InChI=1/C11H8Cl2N2O/c12-9-6-14-15(11(16)10(9)13)7-8-4-2-1-3-5-8/h1-6H,7H2
(3)InChIKey: AJHBQZQCDCTOFD-UHFFFAOYAN