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CAS No.: | 65515-28-8 |
---|---|
Name: | METHYL 2 6-DICHLOROPYRIDINE-3-CARBOXYLA& |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C7H5Cl2NO2 |
Molecular Weight: | 206.028 |
Synonyms: | Methyl 2,6-dichloropyridine-3-carboxylate;Methyl 2,6-Dichloronicotinate; |
Density: | 1.426 g/cm3 |
Melting Point: | 56-60 °C(lit.) |
Boiling Point: | 270.517 °C at 760 mmHg |
Flash Point: | 117.405 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 39.19000 |
LogP: | 2.17500 |
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The 3-Pyridinecarboxylic acid, 2,6-dichloro-, methyl ester, with the CAS registry number 65515-28-8, is also known as Methyl 2,6-Dichloronicotinate. This chemical's molecular formula is C7H5Cl2NO2 and molecular weight is 206.03. What's more, its systematic name is methyl 2,6-dichloropyridine-3-carboxylate.
Physical properties of 3-Pyridinecarboxylic acid, 2,6-dichloro-, methyl ester are: (1)ACD/LogP: 1.77; (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): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 220; (8)ACD/KOC (pH 7.4): 220; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 45.907 cm3; (15)Molar Volume: 144.451 cm3; (16)Polarizability: 18.199×10-24cm3; (17)Surface Tension: 46.894 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 117.405 °C; (20)Enthalpy of Vaporization: 50.87 kJ/mol; (21)Boiling Point: 270.517 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc(nc1Cl)Cl
(2)InChI: InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3
(3)InChIKey: IFVVGOJYWCHRCT-UHFFFAOYSA-N