Triethyl 4-Phosphonobutyrate - CAS 2327-69-7

Catalog:	BB017994
Product Name:	Triethyl 4-Phosphonobutyrate
CAS:	2327-69-7
Synonyms:	4-diethoxyphosphorylbutanoic acid ethyl ester; ethyl 4-diethoxyphosphorylbutanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-diethoxyphosphorylbutanoate
Description:	Triethyl 4-Phosphonobutyrate (CAS# 2327-69-7) is a useful research chemical.
Molecular Weight:	252.24
Molecular Formula:	C10H21O5P
Canonical SMILES:	CCOC(=O)CCCP(=O)(OCC)OCC
InChI:	InChI=1S/C10H21O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h4-9H2,1-3H3
InChI Key:	FYESTJSRASJZOY-UHFFFAOYSA-N
Boiling Point:	328.7 °C at 760 mmHg
Density:	1.078 g/cm³
MDL:	MFCD00015168
LogP:	2.59580

Publication Number	Title	Priority Date
WO-2021110589-A1	Process for producing polyether carbonate polyols	20191204
JP-2021023616-A	Aldehyde scavenger	20190806
JP-2020155254-A	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20190319
JP-2019192639-A	Non-aqueous electrolyte and energy device using the same	20180423
EP-3667803-A1	Nonaqueous electrolyte secondary battery	20170810

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.11266076
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.11266076
Rotatable Bond Count:	10
Topological Polar Surface Area:	61.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8