Diethyl Benzylphosphonate - CAS 1080-32-6

Catalog:	BB002158
Product Name:	Diethyl Benzylphosphonate
CAS:	1080-32-6
Synonyms:	diethoxyphosphorylmethylbenzene; diethoxyphosphorylmethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	diethoxyphosphorylmethylbenzene
Description:	Diethyl Benzylphosphonate (CAS# 1080-32-6) is a useful reagent in organic synthesis.
Molecular Weight:	228.22
Molecular Formula:	C11H17O3P
Canonical SMILES:	CCOP(=O)(CC1=CC=CC=C1)OCC
InChI:	InChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI Key:	AIPRAPZUGUTQKX-UHFFFAOYSA-N
Boiling Point:	106-108 °C (1 torr)
Density:	1.09 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00009078
LogP:	3.45270

Publication Number	Title	Priority Date
CN-113045423-A	High-performance resin based on polymerized rosin group and preparation method and application thereof	20210316
CN-111592487-A	Hydroximic acid group-containing diarylethene LSD1/HDACs double-target inhibitor, and preparation method and application thereof	20200609
JP-2020143060-A	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20200407
JP-6851527-B2	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20200407
WO-2021201120-A1	Agent for treating inflammatory bowel disease, and amide compound or salt thereof	20200331

PMID	Publication Date	Title	Journal
19351174	20090515	Synthesis of alpha-(nitroaryl)benzylphosphonates via oxidative nucleophilic substitution of hydrogen in nitroarenes	The Journal of organic chemistry

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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.09153140
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.09153140
Rotatable Bond Count:	6
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7