1-Fluoro-3-iodopropane - CAS 462-40-8

Catalog:	BB026105
Product Name:	1-Fluoro-3-iodopropane
CAS:	462-40-8
Synonyms:	1-fluoro-3-iodopropane; 1-fluoro-3-iodopropane

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-fluoro-3-iodopropane
Description:	1-Iodo-3-fluoropropane could be a useful reagent for preparation as a radioligand for positron emission tomography imaging of cannabinoid receptors.
Molecular Weight:	187.98
Molecular Formula:	C3H6FI
Canonical SMILES:	C(CF)CI
InChI:	InChI=1S/C3H6FI/c4-2-1-3-5/h1-3H2
InChI Key:	URBUZQPPQLQHBZ-UHFFFAOYSA-N
Boiling Point:	128.2 °C at 760 mmHg
Density:	1.837 g/cm³
MDL:	MFCD07784197
LogP:	1.78100

Publication Number	Title	Priority Date
WO-2021209539-A1	Pyrrolo[1,2-d][1,2,4]triazine-2-yl-acetamides as inhibitors of the nlrp3 inflammasome pathway	20200415
WO-2021139756-A1	Tricyclic tetrahydroisoquinoline derivative, preparation method therefor and application thereof in medicine	20200110
WO-2021129621-A1	Pyrazole compounds	20191223
WO-2021085582-A1	Pyrazine derivative or salt thereof, and use of same	20191031
JP-2021120446-A	Halogen-based cleaning composition	20190724

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	16.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.94983
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.94983
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2