Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-


Chemical Name: Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-
CAS Number: 23165-29-9
Product Number: AG002MF9(AGN-PC-0KK619)
Synonyms:
MDL No:
Molecular Formula: C9H3F6NS
Molecular Weight: 271.1822

Identification/Properties


Properties
MP:
160℃
BP:
63 °C1.5 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.5(lit.)
Computed Properties
Molecular Weight:
271.18g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
270.989g/mol
Monoisotopic Mass:
270.989g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
294
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


NMR Spectrum


Other Analytical Data


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