Diethyl (3-methyl-2-oxobutyl)phosphonate - CAS 7751-67-9

Catalog:	BB043841
Product Name:	Diethyl (3-methyl-2-oxobutyl)phosphonate
CAS:	7751-67-9
Synonyms:	Phosphonic acid, (3-methyl-2-oxobutyl)-, diethyl ester; SCHEMBL7055977; CTK2G6305

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-diethoxyphosphoryl-3-methylbutan-2-one
Description:	Diethyl (3-methyl-2-oxobutyl)phosphonate (CAS# 7751-67-9 ) is a useful research chemical.
Molecular Weight:	222.22
Molecular Formula:	C9H19O4P
Canonical SMILES:	CCOP(=O)(CC(=O)C(C)C)OCC
InChI:	InChI=1S/C9H19O4P/c1-5-12-14(11,13-6-2)7-9(10)8(3)4/h8H,5-7H2,1-4H3
InChI Key:	NQQHQWSRTXRJHH-UHFFFAOYSA-N

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Related Functional Groups

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Phosphorus Compounds

[4671-77-6]
1,4-Butanediphosphonic acid
[1263034-19-0]
3-Methoxybenzylphosphonic acid
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid
[124755-24-4]
Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
[23550-25-6]
Ethyl 3-(dimethoxyphosphoryl)propanoate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501
Signal Word:	Danger

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.10209608
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.10209608
Rotatable Bond Count:	7
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1