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trifluoromethylsulfonyl 2,2,2-trifluoroacetate

diethyl fluoromalonate

CAS: 685-88-1

Molecular Formula: C7H11FO4

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trifluoromethylsulfonyl 2,2,2-trifluoroacetate - Names and Identifiers

Name diethyl fluoromalonate
Synonyms Propanedio
Ethyl fluoromalonate
1,2-Difluoromalonate
diethyl fluoromalonate
Diethyl 2-fluoromalonate
diethylfluoropropanedioate
diethyl fluoropropanedioate
diethyl 2-fluoropropanedioate
fluoro-malonicacidiethylester
1,3-diethyl 2-fluoropropanedioate
Diethyl 2-fluoropropane-1,3-dioate
trifluoromethylsulfonyl 2,2,2-trifluoroacetate
CAS 685-88-1
EINECS 211-684-7
InChI InChI=1/C3F6O4S/c4-2(5,6)1(10)13-14(11,12)3(7,8)9
InChIKey GOWQBFVDZPZZFA-UHFFFAOYSA-N

trifluoromethylsulfonyl 2,2,2-trifluoroacetate - Physico-chemical Properties

Molecular FormulaC7H11FO4
Molar Mass178.16
Density1.129g/mLat 25°C(lit.)
Boling Point121-122°C30mm Hg(lit.)
Flash Point144°F
Vapor Presure36.1mmHg at 25°C
AppearanceLiquid
Specific Gravity1.129
ColorClear colorless to pale yellow
BRN1775686
pKa10.40±0.46(Predicted)
Storage Conditionunder inert gas (nitrogen or Argon) at 2-8°C
Refractive Indexn20/D 1.407(lit.)
MDLMFCD00009139

trifluoromethylsulfonyl 2,2,2-trifluoroacetate - Risk and Safety

Risk Codes34 - Causes burns
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25 - Avoid contact with eyes.
S27 - Take off immediately all contaminated clothing.
UN IDsUN 3265 8/PG 2
WGK Germany3
RTECSOO1670000
FLUKA BRAND F CODES19
HS Code29171900
Hazard NoteCorrosive
Hazard Class8
Packing GroupIII

trifluoromethylsulfonyl 2,2,2-trifluoroacetate - Reference Information

Open Data Unverified Data
NIST chemical information information provided by: webbook.nist.gov (external link)
Application diethyl fluoromalonate is an important fine chemical raw material, A series of alkylation, alkoxylation, hydroxyalkylation and other reactions can be carried out, and have been applied to the fields of medicine, pesticide and the like.
diethyl fluoromalonate is an intermediate in organic synthesis and pharmaceutical research, and can also be used as an intermediate in new materials.
preparation in a 250m1 round bottom flask, 5g of sodium carbonate, 10g of cobalt octacarbonyl, 72ML (57g, 1. 25mol) ethanol and 53ml(61g,0. 5mol) ethyl chloroacetate, CO2 gas 6H at a flow rate of 50 m1/min, the reaction is completed. 5 ml of concentrated sulfuric acid was added to the system, shaken for 15min, and then subjected to reduced pressure distillation to collect an 80C/4mmHg fraction. 60ml of water was added to the distillate, the pH value was adjusted to 0.3 with concentrated sulfuric acid, and the organic layer was separated by shaking, followed by vacuum distillation to collect a fraction of 80C/ 4mmHg, diethyl malonate 66~69ML (69.6g ~ 72.8g) was obtained, and the yield was about 87% ~ 91%. 16.0g(0. 1mol) of diethyl malonate and 47. 0g(0. 12mol) of HTIB were added to an aluminum container and irradiated and heated in a W microwave oven for 3min. Cooling, adding 19.0G of MgCl, irradiation and heating for 2min. The mixture was cooled, extracted twice with 50ml of CH and Cl2, dried over anhydrous magnesium sulfate, and distilled off of CH2Cl2 to obtain 15.7g of diethyl chloromalonate in a yield of 81%.
Last Update：2024-04-09 19:43:38
trifluoromethylsulfonyl 2,2,2-trifluoroacetate
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Product Name: diethyl fluoromalonate Request for quotation
CAS: 685-88-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: diethyl fluoromalonate Request for quotation
CAS: 685-88-1
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Email: sales@tnjchem.com
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Wuhan Xingzhongcheng Chemical limited company
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Tel: 86+027-83389957
Email: 1024042217@qq.com
Mobile: 86+18627766980
QQ: 1024042217 Click to send a QQ message
Wechat: 18627766980
Shanghai Yuanye Bio-Technology Co., Ltd.
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CAS: 685-88-1
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
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trifluoromethylsulfonyl 2,2,2-trifluoroacetate
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