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| CAS No.: | 4377-35-9 |
|---|---|
| Name: | 2-(dichloromethyl)pyridine |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C6H5Cl2N |
| Molecular Weight: | 162.018 |
| Synonyms: | 2-(Dichloromethyl)pyridine; |
| EINECS: | 224-478-7 |
| Density: | 1.322 g/cm3 |
| Boiling Point: | 214.3 °C at 760 mmHg |
| Flash Point: | 103.6 °C |
| PSA: | 12.89000 |
| LogP: | 2.55780 |
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Specification
The Pyridine, 2-(dichloromethyl)-, with the CAS registry number of 4377-35-9, is also known as Pyridine, 2-(dichloromethyl)- (7CI, 8CI, 9CI). It belongs to the product category of Pyridine. Its EINECS registry number is 224-478-7. This chemical's molecular formula is C6H5Cl2N and molecular weight is 162.0166. What's more, its IUPAC name is 2-(Dichloromethyl)pyridine.
Physical properties about Pyridine, 2-(dichloromethyl)- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.44; (6)ACD/BCF (pH 7.4): 4.44; (7)ACD/KOC (pH 5.5): 101.13; (8)ACD/KOC (pH 7.4): 101.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 38.96 cm3; (15)Molar Volume: 122.4 cm3; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.322 g/cm3; (18)Flash Point: 103.6 °C; (19)Enthalpy of Vaporization: 43.22 kJ/mol; (20)Boiling Point: 214.3 °C at 760 mmHg; (21)Vapour Pressure: 0.23 mmHg at 25 °C.
Preparation: this chemical is prepared by 2-Trichloromethyl-pyridine. The reaction needs reagent FeCl2•4H2O and solvent Acetonitrile. The reaction time is 30 hours with reaction temperature of 82 °C. The yield is about 82 %.
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Uses of Pyridine, 2-(dichloromethyl)-: it is used to produce other chemicals. For example, it is used to produce 2-(2, 2, 3, 3-Tetramethyl-1-chlorocyclopropyl)pyridine at ambient temperature. The reaction needs reagent Potassium tert-butoxide and solvent Benzene. The yield is about 34 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)c1ncccc1
(2) InChI: InChI=1/C6H5Cl2N/c7-6(8)5-3-1-2-4-9-5/h1-4,6H
(3) InChIKey: FOXDMOFYUBDIFD-UHFFFAOYAP