Isopropyl (4-Nitrophenyl) Methylphosphonate - CAS 3735-97-5

Catalog:	BB023261
Product Name:	Isopropyl (4-Nitrophenyl) Methylphosphonate
CAS:	3735-97-5
Synonyms:	1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene; 1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene
Description:	Isopropyl (4-Nitrophenyl) Methylphosphonate (CAS# 3735-97-5 ) is a useful research chemical.
Molecular Weight:	259.20
Molecular Formula:	C10H14NO5P
Canonical SMILES:	CC(C)OP(=O)(C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C10H14NO5P/c1-8(2)15-17(3,14)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3
InChI Key:	YSHVIWJFWCEDSQ-UHFFFAOYSA-N
Boiling Point:	130 °C (0.5 mmHg)
LogP:	3.74470

Publication Number	Title	Priority Date
US-2019152920-A1	Compounds for central reactivation of organophosphorus- based compound-inhibited acetylcholinesterase and/or inactivation of organophosphorus-based acetylcholinesterase inhibitors and related compositions methods and systems for making and using them	20171123
US-2013343994-A1	Cholinesterase Inhibitors	20120625
US-2017197996-A1	Cholinesterase Inhibitors	20120625
EP-2568807-A1	Phenoxyalkyl pyridinium oxime therapeutics for treatment of organophosphate poisoning	20100512
EP-2568807-B1	Phenoxyalkyl pyridinium oxime therapeutics for treatment of organophosphate poisoning	20100512

PMID	Publication Date	Title	Journal
26705700	20160102	Novel substituted phenoxyalkyl pyridinium oximes enhance survival and attenuate seizure-like behavior of rats receiving lethal levels of nerve agent surrogates	Toxicology
26275814	20151002	The effect of PON1 enhancers on reducing acetylcholinesterase inhibition following organophosphate anticholinesterase exposure in rats	Toxicology
25304213	20150101	Novel nucleophiles enhance the human serum paraoxonase 1 (PON1)-mediated detoxication of organophosphates	Toxicological sciences : an official journal of the Society of Toxicology
22247004	20120401	Synthesis and in vitro and in vivo inhibition potencies of highly relevant nerve agent surrogates	Toxicological sciences : an official journal of the Society of Toxicology
17129656	20070420	Asymmetric fluorogenic organophosphates for the development of active organophosphate hydrolases with reversed stereoselectivity	Toxicology

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Related Functional Groups

Phosphorus Compounds

[4671-77-6]
1,4-Butanediphosphonic acid
[84962-98-1]
3-(Trihydroxysilyl)propyl methylphosphonate, monosodium salt solution
[1263034-19-0]
3-Methoxybenzylphosphonic acid
[115826-95-4]
Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II)
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[60902-45-6]
n-Nonyl triphenylphosphonium bromide

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Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.06095954
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.06095954
Rotatable Bond Count:	4
Topological Polar Surface Area:	81.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9