Benzenethiol, 4-fluoro-


Chemical Name: Benzenethiol, 4-fluoro-
CAS Number: 371-42-6
Product Number: AG00341P(AGN-PC-0JL81K)
Synonyms:
MDL No:
Molecular Formula: C6H5FS
Molecular Weight: 128.1673

Identification/Properties


Properties
MP:
43-46°C
BP:
162.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Stench
Refractive Index:
n20/D 1.550(lit.)
Computed Properties
Molecular Weight:
128.164g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
128.01g/mol
Monoisotopic Mass:
128.01g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
66.9
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#:
3336
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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