2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester
CAS Number: 128073-16-5
Product Number: AG000XR3(AGN-PC-03J3V7)
Synonyms:
MDL No: MFCD06656414
Molecular Formula: C9H7ClF3NO2
Molecular Weight: 253.6056

Identification/Properties


Properties
BP:
115-120°C at 3 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.4590 to 1.4630
Computed Properties
Molecular Weight:
253.605g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
253.012g/mol
Monoisotopic Mass:
253.012g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
260
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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