2-Fluoro-3-trifluoromethyltoluene


Chemical Name: 2-Fluoro-3-trifluoromethyltoluene
CAS Number: 1214331-63-1
Product Number: AG0014S7(AGN-PC-0WA6OC)
Synonyms:
MDL No:
Molecular Formula: C8H6F4
Molecular Weight: 178.1269

Identification/Properties


Computed Properties
Molecular Weight:
178.13g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
178.041g/mol
Monoisotopic Mass:
178.041g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
152
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#:
1993
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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