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| CAS No.: | 101664-59-9 |
|---|---|
| Name: | 2-CHLORO-3,4-DIMETHOXYPYRIDINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C7H8ClNO2 |
| Molecular Weight: | 173.599 |
| Synonyms: | 2-Chloro-3,4-dimethoxy-pyridine; |
| Density: | 1.217 g/cm3 |
| Melting Point: | 37-42℃ |
| Boiling Point: | 241.5 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 31.35000 |
| LogP: | 1.75220 |
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Specification
The Pyridine, 2-chloro-3, 4-dimethoxy- has CAS registry number 101664-59-9. This chemical's molecular formula is C7H8ClNO2 and molecular weight is 173.60. What's more, its systematic name is 2-Chloro-3, 4-dimethoxy-pyridine.
Physical properties about Pyridine, 2-chloro-3, 4-dimethoxy- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 31.35 Å2; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 42.59 cm3; (11)Molar Volume: 142.6 cm3; (12)Polarizability: 16.88×10-24 cm3; (13)Surface Tension: 36.5 dyne/cm; (14)Density: 1.217 g/cm3; (15)Flash Point: 99.9 °C; (16)Enthalpy of Vaporization: 45.91 kJ/mol; (17)Boiling Point: 241.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0554 mmHg at 25 °C.
Preparation of Pyridine, 2-chloro-3, 4-dimethoxy-: this chemical is prepared by reaction of 2-Chloro-3-methoxy-4-nitro-pyridine with Methanol by heating. The reaction needs reagent Na and solvent Methanol. The reaction time is 1 hours. The yield is about 63 %.
Uses of Pyridine, 2-chloro-3, 4-dimethoxy-: it is used to produce other chemicals. For example, it is used to produce 3, 4-Dimethoxy-pyridine. This reaction needs reagents NiCl2•6H2O/(C6H5)3P, Zn and KI. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 12 hours with reaction temperature of 50 °C. The yield is about 52 %.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(ccnc1Cl)OC
(2) InChI: InChI=1/C7H8ClNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3
(3) InChIKey: USSXRSGDCHLUDK-UHFFFAOYAJ