4-chlorophenylacetone - CAS 5586-88-9

Catalog:	BB029206
Product Name:	4-chlorophenylacetone
CAS:	5586-88-9
Synonyms:	1-(4-chlorophenyl)-2-propanone; 1-(4-chlorophenyl)propan-2-one

Technical Data

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Computed Properties

IUPAC Name:	1-(4-chlorophenyl)propan-2-one
Description:	4-chlorophenylacetone (CAS# 5586-88-9) is a phenylacetone derivative used in the preparation of biologically active compounds such as anorectic agents.
Molecular Weight:	168.62
Molecular Formula:	C9H9ClO
Canonical SMILES:	CC(=O)CC1=CC=C(C=C1)Cl
InChI:	InChI=1S/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChI Key:	WEJRYKSUUFKMBC-UHFFFAOYSA-N
Boiling Point:	132 ℃
Purity:	95 %
Density:	1.151 g/cm³
Appearance:	Clear light yellow liquid
MDL:	MFCD00045214
LogP:	2.47150

Publication Number	Title	Priority Date
CN-212605364-U	Conveyer is used in processing of p-chlorophenylacetone	20200731
CN-212621648-U	P chloropropiophenone processing hydrolysate sampling device	20200731
CN-212819433-U	Improved washing device for producing p-chlorophenylacetone	20200731
CN-212819768-U	P chloropropiophenone processing is with throwing material device	20200731
CN-212819898-U	Reation kettle is used in production of p-chlorophenylpropionic ketone	20200731

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0341926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5