3-(Chloromethyl)furan - CAS 14497-29-1

Catalog:	BB009858
Product Name:	3-(Chloromethyl)furan
CAS:	14497-29-1
Synonyms:	3-(chloromethyl)furan; 3-(chloromethyl)furan

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(chloromethyl)furan
Description:	3-(Chloromethyl)furan (CAS# 14497-29-1) is labelled 3-Methylfuran (M305443). 3-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.
Molecular Weight:	116.55
Molecular Formula:	C5H5ClO
Canonical SMILES:	C1=COC=C1CCl
InChI:	InChI=1S/C5H5ClO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChI Key:	WECUIJXZKLGURU-UHFFFAOYSA-N
Boiling Point:	133.402 °C at 760 mmHg
Density:	1.166 g/cm³
LogP:	2.01840

Publication Number	Title	Priority Date
US-2021053917-A1	Novel thyromimetics	20190301
CN-111518022-A	Aromatic (hetero) cyclic ether compound with insecticidal activity and preparation method and application thereof	20190202
WO-2020156512-A1	Aromatic (hetero)cyclic ether compound having insecticidal activity, preparation method therefor, and application thereof	20190202
US-2020095425-A1	Fluorescent dye, preparation method therefor and use thereof	20171221
EP-3744810-A1	Fluorescent dye, preparation method therefor and use thereof	20171221

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Complexity:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.0028925
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.0028925
Rotatable Bond Count:	1
Topological Polar Surface Area:	13.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6