Cyclobutyl chloride - CAS 1120-57-6

Catalog:	BB002861
Product Name:	Cyclobutyl chloride
CAS:	1120-57-6
Synonyms:	chlorocyclobutane

Technical Data

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Computed Properties

IUPAC Name:	chlorocyclobutane
Description:	Cyclobutyl chloride (CAS# 1120-57-6) is a useful research chemical.
Molecular Weight:	90.55
Molecular Formula:	C4H7Cl
Canonical SMILES:	C1CC(C1)Cl
InChI:	InChI=1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2
InChI Key:	STJYMUBZVMSMBP-UHFFFAOYSA-N
Boiling Point:	83 ℃
Purity:	95 %
Density:	0.991 g/cm³
Appearance:	Clear colorless liquid
Storage:	0-6 ℃
MDL:	MFCD00013736
LogP:	1.77770

Publication Number	Title	Priority Date
CN-112645971-A	Method for directly preparing alkyl borate compound from alkyl halide	20210120
CN-112608465-A	Antioxidant and preparation method thereof	20201127
CN-111807943-A	Preparation method of cyclobutanone	20200730
WO-2021136345-A1	Jak inhibitor compound and use thereof	20191230
CN-110075102-B	Application of polycyclic polyketide in preparation of anti-herpes virus drugs	20190530

PMID	Publication Date	Title	Journal
22565376	20120614	Photocycloadditions of tetrachloro-1,4-benzoquinone (chloranil) onto cyclobutene and cyclopropene. Expected and unexpected products	Organic & biomolecular chemistry
15238004	20040714	Rearrangements concerted with fragmentation of cyclopropylmethoxychlorocarbene and cyclobutoxychlorocarbene in hydrocarbon solvents and Ar matrices	Journal of the American Chemical Society

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	30.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	90.0236279
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	90.0236279
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7