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Diethyl (isopropyloxycarbonylmethyl)phosphonate

Diethyl (isopropyloxycarbonylmethyl)phosphonate - CAS 50350-99-7

Catalog:	BB043741
Product Name:	Diethyl (isopropyloxycarbonylmethyl)phosphonate
CAS:	50350-99-7
Synonyms:	Isopropyl 2-diethoxyphosphorylacetate; Acetic acid, (diethoxyphosphinyl)-, 1-methylethyl ester; Isopropyl diethylphosphonoacetate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	propan-2-yl 2-diethoxyphosphorylacetate
Description:	Diethyl (isopropyloxycarbonylmethyl)phosphonate (CAS# 50350-99-7 ) is a useful research chemical.
Molecular Weight:	238.22
Molecular Formula:	C9H19O5P
Canonical SMILES:	CCOP(=O)(CC(=O)OC(C)C)OCC
InChI:	InChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3
InChI Key:	SWGMKWQNFIOGDY-UHFFFAOYSA-N
Purity:	98 %

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Related Functional Groups

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Phosphorus Compounds

[4671-77-6]
1,4-Butanediphosphonic acid
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[757-54-0]
Allylphosphonic acid dimethyl ester
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[124755-24-4]
Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
[28845-75-2]
Ethyl 2,2-dibromodiethylphosphonoacetate

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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.0970107
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.0970107
Rotatable Bond Count:	8
Topological Polar Surface Area:	61.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9