Benzene, 1-isothiocyanato-4-(trifluoromethyl)-


Chemical Name: Benzene, 1-isothiocyanato-4-(trifluoromethyl)-
CAS Number: 1645-65-4
Product Number: AG001UXA(AGN-PC-0JMPA8)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NS
Molecular Weight: 203.1843

Identification/Properties


Properties
MP:
39-43 °C(lit.)
BP:
81°C at 11 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
203.182g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
203.002g/mol
Monoisotopic Mass:
203.002g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
212
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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