Benzene, 1-bromo-4-isothiocyanato-


Chemical Name: Benzene, 1-bromo-4-isothiocyanato-
CAS Number: 1985-12-2
Product Number: AG002BKW(AGN-PC-0A9E0G)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNS
Molecular Weight: 214.0824

Identification/Properties


Properties
MP:
56-58 °C(lit.)
BP:
144-145 °C (5 mmHg)
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.6070 (estimate)
Computed Properties
Molecular Weight:
214.08g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
212.925g/mol
Monoisotopic Mass:
212.925g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
146
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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