Ethyl 3,3,3-trifluoropyruvate - ≥98% , CAS No.13081-18-0

CAS: 13081-18-0 Cat. No.: E101007 分子式: C5H5F3O3 分子量: 170.09 Beilstein Registry Number: 2087390 EC番号: 603-440-7
注文可能
GRADE & PURITY ≥98%
Synonyms
ethyl 3,3,3-tris(fluoranyl)-2-oxidanylidene-propanoate | AM61327 | Ethyl 3,3,3 trifluoropyruvate | ethyl trifluorpyruvate | FT-0626249 | Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester | J-521357 | J-005881 | A806153 | ethyltrifluoropyruvate | ethyl-t
Storage
Room temperature,Argon charged
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
5g
E101007-5g
3 在庫あり
—
$9.90
10g
E101007-10g
2 在庫あり
—
$10.90
25g
E101007-25g
2 在庫あり
—
$19.90
100g
E101007-100g
1 在庫あり
—
$69.90
500g
E101007-500g
受注生産 · 8~12週間
$309.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

It is a trifluoromethylated compound. Enantioselective Friedel-Crafts alkylation of simple phenols and indoles with ethyl 3,3,3-trifluoropyruvate under different reaction conditions have been reported.
It may be used in the preparation of N-heteroaryl(trifluoromethyl)hydroxyalkanoic acid esters.

Specifications

同義語
ethyl 3,3,3-tris(fluoranyl)-2-oxidanylidene-propanoate | AM61327 | Ethyl 3,3,3 trifluoropyruvate | ethyl trifluorpyruvate | FT-0626249 | Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester | J-521357 | J-005881 | A806153 | ethyltrifluoropyruvate | ethyl-t
仕様と純度
≥98%
保管条件
Room temperature,Argon charged
入荷
Normal
純度
≥98%
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/508811484
カノニカル・スマイル
CCOC(=O)C(=O)C(F)(F)F
IUPAC Name
ethyl 3,3,3-trifluoro-2-oxopropanoate
InChIKey
KJHQVUNUOIEYSV-UHFFFAOYSA-N
INCHI
1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3
異性体SMILES
CCOC(=O)C(=O)C(F)(F)F
WGKドイツ
3
UN番号
3272
分子量
170.09
Beilstein
2087390
Reaxy-Rn
2087388
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087388&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
分類Keto acids and derivatives
SubclassAlpha-keto acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAlpha-keto acids and derivatives
Alternative Parents Alpha-haloketones  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alpha-keto acid - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
説明This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate Type日付商品
E1810010Certificate of AnalysisMar 20, 2026 E101007
I2510428Certificate of AnalysisAug 22, 2025 E101007
I2510429Certificate of AnalysisAug 22, 2025 E101007
G2419239Certificate of AnalysisApr 02, 2024 E101007
G2419240Certificate of AnalysisApr 02, 2024 E101007
I2201388Certificate of AnalysisJun 14, 2022 E101007
I2201393Certificate of AnalysisJun 14, 2022 E101007
I2201394Certificate of AnalysisJun 14, 2022 E101007
E1810011Certificate of AnalysisMar 08, 2022 E101007
B2215258Certificate of AnalysisDec 15, 2021 E101007
B2215259Certificate of AnalysisDec 15, 2021 E101007
I2404187Certificate of AnalysisDec 15, 2021 E101007
化学的性質と物理的性質
感度Moisture sensitive
屈折率1.341
引火点(°F)87.8 °F
引火点(°C)27℃
沸点(°C)98 °C
分子量170.090 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass170.019 Da
Monoisotopic Mass170.019 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count11
Formal Charge0
Complexity172.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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