(Bromomethyl)cyclopropane - CAS 7051-34-5

Name: (Bromomethyl)cyclopropane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	bromomethylcyclopropane
Description:	(Bromomethyl)cyclopropane (CAS# 7051-34-5) is a reagent used in the synthesis of human dihydroorotate dehydrogensase inhibitors which are based on azole scaffolds. In addition it is used in the preparation of ([11C]CMDC) for PET imaging of mGlur2 which has been a proposed target in the treatment of schizophrenia.
Molecular Weight:	135.00
Molecular Formula:	C4H7Br
Canonical SMILES:	C1CC1CBr
InChI:	InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
InChI Key:	AEILLAXRDHDKDY-UHFFFAOYSA-N
Boiling Point:	105-107 °C
Purity:	97 %
Density:	1.392 g/cm³
MDL:	MFCD00001306
LogP:	1.79130

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning 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:	Warning

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PMID	Publication Date	Title	Journal
22260229	20120203	Copper(I)-catalyzed boryl substitution of unactivated alkyl halides	Organic letters
21754441	20110501	Methyl 3,4-bis-(cyclo-propyl-meth-oxy)benzoate	Acta crystallographica. Section E, Structure reports online
21588318	20100714	Methyl 4-(cyclopropylmethoxy)-3-hydroxybenzoate [corrected]	Acta crystallographica. Section E, Structure reports online
18189387	20080206	Rearrangement, nucleophilic substitution, and halogen switch reactions of alkyl halides over NaY Zeolite: formation of the bicyclobutonium cation inside the zeolite cavity	Journal of the American Chemical Society
17042595	20061014	Photodissociation of 1-bromo-2-butene, 4-bromo-1-butene, and cyclopropylmethyl bromide at 234 nm studied using velocity map imaging	The Journal of chemical physics

Complexity:	30.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.97311
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.97311
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7