3-Iodooxolane - CAS 121138-01-0

Catalog:	BB005039
Product Name:	3-Iodooxolane
CAS:	121138-01-0
Synonyms:	3-iodooxolane; 3-iodooxolane

Technical Data

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Computed Properties

IUPAC Name:	3-iodooxolane
Description:	3-Iodooxolane (CAS# 121138-01-0) is used to study transition-metal-free Heck-type reaction between alkenes and alkyl iodides enabled by light in water.
Molecular Weight:	198.00
Molecular Formula:	C4H7IO
Canonical SMILES:	C1COCC1I
InChI:	InChI=1S/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2
InChI Key:	BKIQORJIKOPRCG-UHFFFAOYSA-N
Boiling Point:	187.021 °C at 760 mmHg
Density:	1.931 g/cm³
MDL:	MFCD09878873
LogP:	1.21030

Publication Number	Title	Priority Date
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
CN-112824398-A	Immunomodulator	20191120
WO-2021098844-A1	Immunomodulator	20191120
CN-112142711-A	Substituted thiophene compound, preparation method and application thereof	20190628

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GHS Hazard Statement:	H227 (33.33%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.95416
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.95416
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2