Benzaldehyde, 2,3,6-trifluoro-


Chemical Name: Benzaldehyde, 2,3,6-trifluoro-
CAS Number: 104451-70-9
Product Number: AG0032XD(AGN-PC-0JS819)
Synonyms:
MDL No: MFCD00061195
Molecular Formula: C7H3F3O
Molecular Weight: 160.0933

Identification/Properties


Properties
MP:
76 °C
BP:
159°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.487(lit.)
Computed Properties
Molecular Weight:
160.095g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
160.014g/mol
Monoisotopic Mass:
160.014g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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