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Product No: AQ9187

Dimethyl (2-Oxopropyl)phosphonate, 97%

Name: Dimethyl (2-Oxopropyl)phosphonate
Brand: Chempure

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CAS Number

4202-14-6

Molecular Weight

166.11

Formula

C5H11O4P

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IUPAC name	1-dimethoxyphosphorylpropan-2-one
canonical smiles	CC(=O)CP(=O)(OC)OC
inchi	InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3
inchi key	UOWIYNWMROWVDG-UHFFFAOYSA-N
molecular formula	C5H11O4P
synonyms	Dimethyl (2-oxopropyl)phosphonate 4202-14-6 Dimethyl acetylmethylphosphonate Dimethyl 2-oxopropylphosphonate 1-dimethoxyphosphorylpropan-2-one

Computed Properties

Molecular Weight:	166.11 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	166.03949583 g/mol
Monoisotopic Mass:	166.03949583 g/mol
Topological Polar Surface Area:	52.6 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	157
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Trimethyl phosphate

Dimethyl morpholinophosphoramidate

Methyl(acetoxymethyl)nitrosamine

4-Penten-2-one, 4-methyl-

3-Chloropentane-2,4-dione

Acetoin acetate

Ethyl 2-acetyloxypropanoate

1,2-Dichloroethyl acetate

N,N-Diethylacetoacetamide

Trimethyl phosphonoacetate

Dimethyl cyclopropane-1,1-dicarboxylate

Diethyl acetylphosphonate

Phosphonic acid, [(methylsulfonyl)methyl]-, diethyl ester

Bis(dichlorophosphoryl)methane

Methyl (S)-(+)-3-hydroxybutyrate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (75%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (50%) Muta. 2 (75%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (75%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
hazards summary	May cause irritation. See Dimethyl methylphosphonate, Diisopropyl methylphosphonate, and Diethyl ethylphosphonate.

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-dimethoxyphosphorylpropan-2-one
canonical smiles	CC(=O)CP(=O)(OC)OC
inchi	InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3
inchi key	UOWIYNWMROWVDG-UHFFFAOYSA-N
molecular formula	C5H11O4P
synonyms	Dimethyl (2-oxopropyl)phosphonate 4202-14-6 Dimethyl acetylmethylphosphonate Dimethyl 2-oxopropylphosphonate 1-dimethoxyphosphorylpropan-2-one

Computed Properties

Molecular Weight:	166.11 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	166.03949583 g/mol
Monoisotopic Mass:	166.03949583 g/mol
Topological Polar Surface Area:	52.6 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	157
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Trimethyl phosphate

Dimethyl morpholinophosphoramidate

Methyl(acetoxymethyl)nitrosamine

4-Penten-2-one, 4-methyl-

3-Chloropentane-2,4-dione

Acetoin acetate

Ethyl 2-acetyloxypropanoate

1,2-Dichloroethyl acetate

N,N-Diethylacetoacetamide

Trimethyl phosphonoacetate

Dimethyl cyclopropane-1,1-dicarboxylate

Diethyl acetylphosphonate

Phosphonic acid, [(methylsulfonyl)methyl]-, diethyl ester

Bis(dichlorophosphoryl)methane

Methyl (S)-(+)-3-hydroxybutyrate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (75%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (50%) Muta. 2 (75%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (75%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
hazards summary	May cause irritation. See Dimethyl methylphosphonate, Diisopropyl methylphosphonate, and Diethyl ethylphosphonate.

Product No: AQ9187

Dimethyl (2-Oxopropyl)phosphonate, 97%

Product No: AQ9187

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AQ9187

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?