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Product No: BF7260

Methyl 3,3,3-trifluoro-2-oxopropanoate, 95%

Name: Methyl 3,3,3-trifluoro-2-oxopropanoate
Brand: Chempure

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CAS Number

13089-11-7

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IUPAC name	methyl 3,3,3-trifluoro-2-oxopropanoate
canonical smiles	COC(=O)C(=O)C(F)(F)F
inchi	InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
inchi key	XGLLQDIWQRQROJ-UHFFFAOYSA-N
molecular formula	C4H3F3O3
synonyms	Methyl Trifluoropyruvate 13089-11-7 methyl 3,3,3-trifluoro-2-oxopropanoate Methyl 3,3,3-trifluoropyruvate Trifluoropyruvic Acid Methyl Ester

Computed Properties

Molecular Weight:	156.06 g/mol
XLogP3:	1.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	2
Exact Mass:	156.00342844 g/mol
Monoisotopic Mass:	156.00342844 g/mol
Topological Polar Surface Area:	43.4 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	160
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

Ethyl methacrylate

1-Methoxy-2-propyl acetate

2,3-Pentanedione

Ethyl pyruvate

Diethyl hydrogen phosphate

2,3,5-Trimethylpyrazine

Hexachloroacetone

Methyl pyruvate

Diglycidyl ether

Tetramethylurea

Dimethyl oxalate

Ethyl trifluoroacetate

Methyl trifluoromethanesulfonate

Ethyl bromopyruvate

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

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (97.87%) Skin Irrit. 2 (14.89%) Eye Irrit. 2A (14.89%) STOT SE 3 (12.77%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (97.87%): Flammable liquid and vapor [Warning Flammable liquids] H315 (14.89%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (14.89%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.77%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*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	methyl 3,3,3-trifluoro-2-oxopropanoate
canonical smiles	COC(=O)C(=O)C(F)(F)F
inchi	InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
inchi key	XGLLQDIWQRQROJ-UHFFFAOYSA-N
molecular formula	C4H3F3O3
synonyms	Methyl Trifluoropyruvate 13089-11-7 methyl 3,3,3-trifluoro-2-oxopropanoate Methyl 3,3,3-trifluoropyruvate Trifluoropyruvic Acid Methyl Ester

Computed Properties

Molecular Weight:	156.06 g/mol
XLogP3:	1.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	2
Exact Mass:	156.00342844 g/mol
Monoisotopic Mass:	156.00342844 g/mol
Topological Polar Surface Area:	43.4 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	160
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

Ethyl methacrylate

1-Methoxy-2-propyl acetate

2,3-Pentanedione

Ethyl pyruvate

Diethyl hydrogen phosphate

2,3,5-Trimethylpyrazine

Hexachloroacetone

Methyl pyruvate

Diglycidyl ether

Tetramethylurea

Dimethyl oxalate

Ethyl trifluoroacetate

Methyl trifluoromethanesulfonate

Ethyl bromopyruvate

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

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (97.87%) Skin Irrit. 2 (14.89%) Eye Irrit. 2A (14.89%) STOT SE 3 (12.77%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (97.87%): Flammable liquid and vapor [Warning Flammable liquids] H315 (14.89%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (14.89%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.77%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BF7260

Methyl 3,3,3-trifluoro-2-oxopropanoate, 95%

Product No: BF7260

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: BF7260

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?