Benzene, 1-bromo-4-[(trifluoromethyl)thio]-


Chemical Name: Benzene, 1-bromo-4-[(trifluoromethyl)thio]-
CAS Number: 333-47-1
Product Number: AG00C0B1(AGN-PC-0JVOCV)
Synonyms:
MDL No:
Molecular Formula: C7H4BrF3S
Molecular Weight: 257.0709

Identification/Properties


Properties
BP:
164.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
257.068g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
255.917g/mol
Monoisotopic Mass:
255.917g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
140
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:
Danger
UN#:
1993
Hazard Statements:
H225-H315-H319-H335
Precautionary Statements:
P210-P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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