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Ethyl 3,3,3-trifluoro-2-oxopropanoate

Ethyl 3,3,3-trifluoro-2-oxopropanoate structure

CAS No:
13081-18-0
Formula:
C5H5F3O3
Chemical Name:
Ethyl 3,3,3-trifluoro-2-oxopropanoate
Synonyms:
Propanoic acid,3,3,3-trifluoro-2-oxo-,ethyl ester;Pyruvic acid,trifluoro-,ethyl ester;Ethyl 3,3,3-trifluoro-2-oxopropanoate;Ethyl trifluoropyruvate;3,3,3-Trifluoro-2-oxopropanoic acid ethyl ester;Ethyl 2-oxo-3,3,3-trifluoropropanoate;Trifluoropyruvic acid ethyl ester;Ethyl 3,3,3-trifluoropyruvate;1601473-12-4
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear pale yellow liquid

Ethyl 3,3,3-trifluoro-2-oxopropanoate Basic Attributes

Molecular Weight：

170.09

Exact Mass：

170.09

BRN：

2087388

EC Number：

603-440-7

DSSTox ID：

DTXSID50371934

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

1.5

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.283 g/mL at 25 °C(lit.)

Boiling Point：

42 °C(lit.)

Flash Point：

88 °F

Refractive Index：

n 20/D 1.341(lit.)

Water Solubility：

Miscible with dichloromethane.

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

10-22-36/37/38

safety instructions：

26-37/39-16

Marks：

Xn,C,Xi

Hazard note：

Corrosive

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl trifluoropyruvate

Ethyl 3,3,3-trifluoro-2-oxopropanoate Use and Manufacturing

Methods of Manufacturing

To 58 mL (1.0 mL/mmol) of acetonitrile, 10 g (58 mmol, 1.0 eq) of ethyl 3, 3, 3-trifluorolactate was added and dissolved therein.

Uses

Trifluoropyruvic Acid Ethyl Ester is used as a reagent in the preparation of potential biologically active compounds such as in the highly enantioselective organocatalytic hydroxyalkylation of indoles.

Computed Properties

Molecular Weight:170.09
XLogP3:1.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:170.01907850
Monoisotopic Mass:170.01907850
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 13081-18-0

Grade: Industrial Grade

Content: 99%

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LEAP CHEM CO., LTD. Contact Supplier

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CAS No.: 13081-18-0

Content: 99.00%

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China Synchem Technology Co., Ltd. Contact Supplier

CN
5 YRS

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Manufactory Supplier of 2-Octyl cyanoacetate,4-Phenoxyphenyl boronic acid,3-Ethoxy-4-methoxybenzaldehyde ,3-Carboxyphenyl boronic acid,3-Ethoxy-4-methoxy benzonitrile,5-Fluorouracil,4-Bromoaniline,Methyl 4-methoxyacetoacetate,2,3-Difluorobromobenzene,6-Bromoquinoline, 1-Methylpyrazole-4-boronic acid pinacol ester,1-Ethoxy-2,3- difluorobenzene,4-Ethoxy-2,3-difluorophenylboronic acid,4-Ethoxy-2,3- difluorophenol,3,4,5-Trifluorophenyl boronic acid,4-Bromo-2,6-difluoro benzoic acid, 2-Chloro-5-nitropyridine, Ethyl trifluoropyruvate,(R)-αα-Diphenyl-2- pyrrolidinemethanol,α-Diphenyl-2- pyrrolidinemethanol,(S)-α,α-Diphenyl-2- pyrrolidinemethanol,Cyclohexanecarbox aldehyde,Cyclohexylmethanol,2-BUTYLETHYL ALCOHOL,4-Bromo-2-fluoro-5-methylbenzoicacid

Ethyl trifluoropyruvate

CAS No.: 13081-18-0

Content: 98%

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Guide of Ethyl 3,3,3-trifluoro-2-oxopropanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Ethyl 3,3,3-trifluoro-2-oxopropanoate

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