Ethyl 2-chloro-5-fluoronicotinate supplier

Name
Ethyl 2-chloro-5-fluoronicotinate
EINECS
CAS No. 139911-30-1
Article Data7
CAS DataBase
Density 1.329 g/cm³
Solubility
Melting Point
Formula C₈H₇ClFNO₂
Boiling Point 252.654 °C at 760 mmHg
Molecular Weight 203.6
Flash Point 106.602 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-fluoronicotinicacid ethyl ester;Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate;
PSA 39.19000
LogP 2.05080

Ethyl 2-chloro-5-fluoronicotinate Specification

The IUPAC name of Ethyl 2-chloro-5-fluoronicotinate is ethyl 2-chloro-5-fluoropyridine-3-carboxylate. With the CAS registry number 139911-30-1, it is also named as 2-Chloro-5-fluoronicotinic acid ethyl ester. The product's categories are Pyridine; Pharmacetical; Pyridines. In addition, its molecular formula is C₈H₇ClFNO₂ and its molecular weight is 203.60.

The other characteristics of Ethyl 2-chloro-5-fluoronicotinate can be summarized as: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.41; (6)ACD/BCF (pH 7.4): 18.41; (7)ACD/KOC (pH 5.5): 280; (8)ACD/KOC (pH 7.4): 280; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 45.63 cm³; (15)Molar Volume: 153.2 cm³; (16)Polarizability: 18.09×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 106.6 °C; (20)Enthalpy of Vaporization: 49 kJ/mol; (21)Boiling Point: 252.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0191 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c1cc(F)cnc1Cl
(2)InChI: InChI=1/C8H7ClFNO2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2H2,1H3
(3)InChIKey: ZCQJBYHGMYTQAO-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2H2,1H3
(5)Std. InChIKey: ZCQJBYHGMYTQAO-UHFFFAOYSA-N

Product Name

Ethyl 2-chloro-5-fluoronicotinate

Ethyl 2-chloro-5-fluoronicotinate Specification

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