Acetic acid, [[4-(trifluoromethyl)phenyl]thio]-


Chemical Name: Acetic acid, [[4-(trifluoromethyl)phenyl]thio]-
CAS Number: 102582-93-4
Product Number: AG0007TV(AGN-PC-0LQ7QN)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2S
Molecular Weight: 236.2109

Identification/Properties


Properties
MP:
114-118 °C(lit.);
BP:
252.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
236.208g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
236.012g/mol
Monoisotopic Mass:
236.012g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
222
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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