1,1-Dibromoformaldoxime - CAS 74213-24-4

Catalog:	BB035030
Product Name:	1,1-Dibromoformaldoxime
CAS:	74213-24-4
Synonyms:	dibromomethanone oxime; N-(dibromomethylidene)hydroxylamine

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Computed Properties

IUPAC Name:	N-(dibromomethylidene)hydroxylamine
Description:	1,1-Dibromoformaldoxime (CAS# 74213-24-4) is a reagent that undergoes cycloaddition with alkynes to prepare substituted 3-bromo-isoxazoles in high yield.
Molecular Weight:	202.83
Molecular Formula:	CHBr2NO
Canonical SMILES:	C(=NO)(Br)Br
InChI:	InChI=1S/CHBr2NO/c2-1(3)4-5/h5H
InChI Key:	AWBKQZSYNWLCMW-UHFFFAOYSA-N
Boiling Point:	230 °C at 760 mmHg
Density:	2.7 g/cm³
MDL:	MFCD06796211
LogP:	1.52140

Publication Number	Title	Priority Date
CN-113336716-A	Preparation method of topramezone intermediate	20210610
CN-113372288-A	Synthetic method of topramezone pesticide intermediate	20210602
CN-111574511-A	Synthesis method and application of sulfuryl pyraflufen	20200628
WO-2021207291-A1	Compounds and uses thereof	20200406
US-2021107889-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009

PMID	Publication Date	Title	Journal
20478710	20100615	Novel tricyclic Delta(2)-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes	Bioorganic & medicinal chemistry
18338843	20080410	Synthesis and pharmacological characterization at glutamate receptors of the four enantiopure isomers of tricholomic acid	Journal of medicinal chemistry
12484537	20021101	Synthesis and pharmacology of 3-hydroxy-delta2-isoxazoline-cyclopentane analogues of glutamic acid	Farmaco (Societa chimica italiana : 1989)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	47.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.84044
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.84249
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2