Propanoic acid, 3,3,3-trifluoro-


Chemical Name: Propanoic acid, 3,3,3-trifluoro-
CAS Number: 2516-99-6
Product Number: AG002QP0(AGN-PC-0KKYLB)
Synonyms:
MDL No:
Molecular Formula: C3H3F3O2
Molecular Weight: 128.0499

Identification/Properties


Properties
MP:
9.7 °C(lit.)
BP:
128.0±35.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.333(lit.)
Computed Properties
Molecular Weight:
128.05g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
128.009g/mol
Monoisotopic Mass:
128.009g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
95.2
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:
Danger
UN#:
3265
Hazard Statements:
H227-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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