Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-


Chemical Name: Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-
CAS Number: 1171-47-7
Product Number: AG003B31(AGN-PC-0JU4ND)
Synonyms:
MDL No:
Molecular Formula: C17H10F6O4
Molecular Weight: 392.2493

Identification/Properties


Properties
MP:
272-274 °C(lit.);
BP:
424.4 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
392.253g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
4
Exact Mass:
392.048g/mol
Monoisotopic Mass:
392.048g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
505
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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