2,2',4'-Trichloroacetophenone


Chemical Name: 2,2',4'-Trichloroacetophenone
CAS Number: 4252-78-2
Product Number: AG0032WD(AGN-PC-0WA5H8)
Synonyms:
MDL No:
Molecular Formula: C8H5Cl3O
Molecular Weight: 223.4837

Identification/Properties


Properties
MP:
47-54 °C(lit.)
BP:
130-135 °C4 mm Hg(lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Lachrymatory
Refractive Index:
1.5510 (estimate)
Solubility:
60 mg/L (20°C)
Computed Properties
Molecular Weight:
223.477g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
221.941g/mol
Monoisotopic Mass:
221.941g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P411+P235-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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