p-Chlorovalerophenone - CAS 25017-08-7

Name: p-Chlorovalerophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018703
Product Name:	p-Chlorovalerophenone
CAS:	25017-08-7
Synonyms:	1-(4-chlorophenyl)-1-pentanone; 1-(4-chlorophenyl)pentan-1-one

Technical Data

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Computed Properties

IUPAC Name:	1-(4-chlorophenyl)pentan-1-one
Description:	p-Chlorovalerophenone (CAS# 25017-08-7) is a useful research chemical.
Molecular Weight:	196.67
Molecular Formula:	C11H13ClO
Canonical SMILES:	CCCCC(=O)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChI Key:	XMUGWCSIQUJOFA-UHFFFAOYSA-N
Boiling Point:	287.6 °C at 760 mmHg
Density:	1.078 g/cm³
MDL:	MFCD00018716
LogP:	3.71290

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3719015-A1	Substituted pyrimidine compound and preparation method therefor and use thereof	20171129
JP-2018150251-A	Process for producing perfluoroalkyl compounds starting from p-halogenophenyl ketone derivative or p-halogenobenzaldehyde derivative and monohydroperfluoroalkane	20170310
EP-3188722-A1	Methods for treating protozoan infections	20140902
US-10392363-B2	Methods for treating protozoan infections	20140902
US-10562880-B2	Methods for treating protozoan infections	20140902

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0654927
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.0654927
Rotatable Bond Count:	4
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6