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Name |
6-Chloronicotinic acid tert-butyl ester |
EINECS | N/A |
CAS No. | 115309-57-4 | Density | 1.173±0.06 g/cm3(Predicted) |
PSA | 39.19000 | LogP | 2.69030 |
Solubility | N/A | Melting Point |
53-54 °C |
Formula | C10H12ClNO2 | Boiling Point | 270.7±20.0 °C(Predicted) |
Molecular Weight | 213.664 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
tert-butyl 2-chloro-5-pyridinecarboxylate;6-CHLORONICOTINIC ACID TERT-BUTYL ESTER;t-butyl 6-chloronicotinate;6-Chloronicotinic acid t-Butyl ester;tert-Butyl 6-chloronicotinate; |
Article Data | 14 |
Molecular structure of 6-Chloronicotinic acid tert-butyl ester (CAS NO.115309-57-4) is:
Product Name: 6-Chloronicotinic acid tert-butyl ester
CAS Registry Number: 115309-57-4
Systematic Name: tert-butyl 6-chloropyridine-3-carboxylate
Molecular Formula: C10H12ClNO2
Molecular Weight: 213.66
Index of Refraction: 1.515 Molar
Refractivity: 54.877 cm3
Molar Volume: 182.069 cm3
Surface Tension: 39.55 dyne/cm
Density: 1.174 g/cm3
Flash Point: 117.498 °C
Enthalpy of Vaporization: 50.886 kJ/mol
Boiling Point: 270.671 °C at 760 mmHg
Vapour Pressure: 0.007 mmHg at 25 °C
SMILES: Clc1ncc(C(=O)OC(C)(C)C)cc1
InChI: InChI=1/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
InChIKey: OFRLMTIBUAXBGV-UHFFFAOYAZ
Std. InChI: InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
Std. InChIKey: OFRLMTIBUAXBGV-UHFFFAOYSA-N