Methyl trifluoroacetate - CAS 431-47-0

Catalog:	BB025339
Product Name:	Methyl trifluoroacetate
CAS:	431-47-0
Synonyms:	methyl 2,2,2-trifluoroacetate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 2,2,2-trifluoroacetate
Description:	Methyl trifluoroacetate (CAS# 431-47-0) is used as a reagent in trifluoromethylation reactions which are important transformations in research and in the development of drugs, agrochemicals and functional materials.
Molecular Weight:	128.05
Molecular Formula:	C3H3F3O2
Canonical SMILES:	COC(=O)C(F)(F)F
InChI:	InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
InChI Key:	VMVNZNXAVJHNDJ-UHFFFAOYSA-N
Boiling Point:	43-43.5 ℃
Density:	1.273 g/cm³
Appearance:	Clear colorless liquid
MDL:	MFCD00000417
LogP:	0.72170
Vapor Pressure:	538.0 [mmHg]

Publication Number	Title	Priority Date
CN-113295803-A	Method for determining residual amount of trifluoroacetic acid in ganirelix acetate	20210727
CN-113214425-A	Modified polytetrafluoroethylene and preparation method and application thereof	20210512
KR-20210096289-A	Anode active material and electrochemical device and electronic device including same	20210331
CN-113078309-A	Positive electrode active material, and electrochemical device and electronic device using same	20210325
CN-113087730-A	Preparation method of BOPYIN fluorescent dye responding to trifluoroacetic acid	20210317

PMID	Publication Date	Title	Journal
21545752	20110506	On the curvature in logarithmic plots of rate coefficients for chemical reactions	Chemistry Central journal
21589050	20101020	(3S,4R,4aS,7aR,12bS)-3-Cyclo-propyl-meth-yl-4a,9-dihy-droxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octa-hydro-1H-4,12-methano-1-benzofuro[3,2-e]isoquinolin-3-ium 2,2,2-trifluoro-acetate methanol solvate	Acta crystallographica. Section E, Structure reports online
20617806	20100805	Joint experimental and DFT study of the gas-phase unimolecular elimination kinetic of methyl trifluoropyruvate	The journal of physical chemistry. A
20222679	20100401	Atmospheric photooxidation of fluoroacetates as a source of fluorocarboxylic acids	Environmental science & technology
19399758	20090901	Determination of tryptophan in bee pollen and royal jelly by high-performance liquid chromatography with fluorescence detection	Biomedical chromatography : BMC

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H314 (57%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (38%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (39%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P313, P362+P364, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	95.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.00851382
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.00851382
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6