1-Chloro-3-pentanone - CAS 32830-97-0

Catalog:	BB021430
Product Name:	1-Chloro-3-pentanone
CAS:	32830-97-0
Synonyms:	1-chloropentan-3-one

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Computed Properties

IUPAC Name:	1-chloropentan-3-one
Description:	1-Chloro-3-pentanone (CAS# 32830-97-0) is a useful building block for organic synthesis.
Molecular Weight:	120.58
Molecular Formula:	C5H9ClO
Canonical SMILES:	CCC(=O)CCCl
InChI:	InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3
InChI Key:	APNSUHRNUVUCIP-UHFFFAOYSA-N
Boiling Point:	167.7 ℃ at 760 mmHg
Purity:	95 %
Density:	1.042 g/cm³
Appearance:	Colorless to brown liquid
Storage:	2-8 ℃
LogP:	1.59440

Publication Number	Title	Priority Date
CN-112358387-A	Method for continuously producing monochloroacetone by micro-droplet reactor	20201126
CN-110483376-A	A kind of synthetic method of intermediate N phenyl -4- piperidones	20190911
CN-112390722-A	Continuous flow process for amine alkylation reaction	20190813
CN-110361358-B	Method for quantitatively detecting chlorine free radical and determining secondary reaction rate constant thereof by laser flash photolysis	20190710
CN-111153901-A	Nitrogen-containing fused heterocyclic SHP2 inhibitor compound, preparation method and application	20181107

PMID	Publication Date	Title	Journal
19883042	20100114	Products and mechanism of the reaction of chlorine atoms with 3-pentanone in 700-950 torr of N(2)/O(2) diluent at 297-515 K	The journal of physical chemistry. A

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	61.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.0341926
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.0341926
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9