1-Butanone, 4-chloro-1-(4-fluorophenyl)-


Chemical Name: 1-Butanone, 4-chloro-1-(4-fluorophenyl)-
CAS Number: 3874-54-2
Product Number: AG003L5E(AGN-PC-0JKEV5)
Synonyms:
MDL No:
Molecular Formula: C10H10ClFO
Molecular Weight: 200.6372

Identification/Properties


Properties
MP:
5-6 °C
BP:
130-132°C at 0.97513 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.5255(lit.)
Computed Properties
Molecular Weight:
200.637g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
200.04g/mol
Monoisotopic Mass:
200.04g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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