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(Chloromethyl)cyclopropane

(Chloromethyl)cyclopropane - CAS 5911-08-0

Catalog:	BB030274
Product Name:	(Chloromethyl)cyclopropane
CAS:	5911-08-0
Synonyms:	chloromethylcyclopropane

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Computed Properties

IUPAC Name:	chloromethylcyclopropane
Description:	(Chloromethyl)cyclopropane (CAS# 5911-08-0) is a used as a reagent to synthesize 6-alkylamino-9-alkylpurines, compounds that have potential to be antipsychotic agents. (Chloromethyl)cyclopropane is also used as a reagent to prepare acylmorphinans, a class of compounds that have analgesic effects in rats.
Molecular Weight:	90.55
Molecular Formula:	C4H7Cl
Canonical SMILES:	C1CC1CCl
InChI:	InChI=1S/C4H7Cl/c5-3-4-1-2-4/h4H,1-3H2
InChI Key:	ZVTQWXCKQTUVPY-UHFFFAOYSA-N
Boiling Point:	87-89 ℃
Density:	0.98 g/cm³
MDL:	MFCD00001307
LogP:	1.63520

Publication Number	Title	Priority Date
US-2015291632-A1	Metalloenzyme inhibitor compounds as fungicides	20140415
WO-2015160665-A1	Metalloenzyme inhibitor compounds as fungicides	20140415
US-2015111885-A1	Bromodomain inhibitors	20131018
US-2015183784-A1	Bromodomain inhibitors	20131018
US-2016115134-A1	Bromodomain inhibitors	20131018

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
22257005	20120203	Directly measured activation parameters for the ring expansions of cyclopropylhalocarbenes	Organic letters
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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, 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:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6