3-(bromomethyl)cyclobutan-1-one - CAS 463961-43-5

Catalog:	BB026124
Product Name:	3-(bromomethyl)cyclobutan-1-one
CAS:	463961-43-5
Synonyms:	3-(bromomethyl)-1-cyclobutanone; 3-(bromomethyl)cyclobutan-1-one

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Computed Properties

IUPAC Name:	3-(bromomethyl)cyclobutan-1-one
Description:	3-(bromomethyl)cyclobutan-1-one (CAS# 463961-43-5) is a useful research chemical.
Molecular Weight:	163.014
Molecular Formula:	C5H7BrO
Canonical SMILES:	C1C(CC1=O)CBr
InChI:	InChI=1S/C5H7BrO/c6-3-4-1-5(7)2-4/h4H,1-3H2
InChI Key:	KFXLTMWRAJRYGV-UHFFFAOYSA-N
Boiling Point:	210.424 °C at 760 mmHg
Density:	1.603 g/cm³
MDL:	MFCD17170393
LogP:	1.36040

Publication Number	Title	Priority Date
WO-2021154997-A1	Inhibitors of apol1 and methods of using same	20200129
WO-2020061279-A1	Cdpk1 inhibitors, compositions, and methods related thereto	20180919
EP-3853230-A1	Cdpk1 inhibitors, compositions, and methods related thereto	20180919
AU-2015359082-A1	2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG	20141212
CA-2969296-A1	2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg	20141212

PMID	Publication Date	Title	Journal
15549798	20041126	Synthesis of 1-amino-3-[(dihydroxyboryl)methyl]- cyclobutanecarboxylic acid as a potential therapy agent	The Journal of organic chemistry

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Related Functional Groups

Cyclobutane

[21816-22-8]
ethyl 2-bromo-2-cyclobutylacetate
[6068-91-3]
isothiocyanatocyclobutane
[1247499-43-9]
N-(2,4,4-trimethylpentan-2-yl)cyclobutanamine
[1803603-34-0]
3-(difluoromethoxy)cyclobutane-1-carboxylic acid
[1215072-90-4]
2-Chloro-4-cyclobutylpyrimidine
[868364-63-0]
(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	82.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.96803
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7