[3-(Bromomethyl)oxetan-3-yl]methanol - CAS 22633-44-9

Catalog:	BB017692
Product Name:	[3-(Bromomethyl)oxetan-3-yl]methanol
CAS:	22633-44-9
Synonyms:	[3-(bromomethyl)-3-oxetanyl]methanol; [3-(bromomethyl)oxetan-3-yl]methanol

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Computed Properties

IUPAC Name:	[3-(bromomethyl)oxetan-3-yl]methanol
Description:	[3-(Bromomethyl)oxetan-3-yl]methanol (CAS# 22633-44-9) is a useful research chemical.
Molecular Weight:	181.03
Molecular Formula:	C5H9BrO2
Canonical SMILES:	C1C(CO1)(CO)CBr
InChI:	InChI=1S/C5H9BrO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
InChI Key:	SESXZSLSTRITGO-UHFFFAOYSA-N
Boiling Point:	242.4 °C at 760 mmHg
Density:	1.598 g/cm³
Appearance:	Colorless to pale yellow liquid
LogP:	0.39020

Publication Number	Title	Priority Date
WO-2021195346-A1	Lipoxygenase inhibitors	20200325
WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220
AU-2018347783-A1	MAP4K4 inhibitors	20171013
WO-2019073253-A1	INHIBITORS OF MAP4K4	20171013
EP-3694866-A1	Map4k4 inhibitors	20171013

PMID	Publication Date	Title	Journal
20189218	20100401	Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions	Chemosphere
15707050	20050115	Chemical transformation of 3-bromo-2,2-bis(bromomethyl)-propanol under basic conditions	Environmental science & technology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	80.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.97859
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0