Diethyl fluoromalonate

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Names

[ CAS No. ]:
685-88-1

[ Name ]:
Diethyl fluoromalonate

[Synonym ]:
MFCD00009139
EINECS 211-684-7
diethyl 2-fluoropropanedioate

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
222.3±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C7H11FO4

[ Molecular Weight ]:
178.158

[ Flash Point ]:
62.2±0.0 °C

[ Exact Mass ]:
178.064133

[ PSA ]:
52.60000

[ LogP ]:
0.61

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.401

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO1670000
CHEMICAL NAME :
Malonic acid, fluoro-, diethyl ester
CAS REGISTRY NUMBER :
685-88-1
BEILSTEIN REFERENCE NO. :
1775686
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H11-F-O4
MOLECULAR WEIGHT :
178.18
WISWESSER LINE NOTATION :
2OVYFVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 6,169,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 6,169,1961

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39-S45-S25

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
OO1670000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2917190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl chloromalonate
  • sodium 1,3-diethoxy-1,3-dioxopropan-2-ide
  • Diethyl malonate
  • ETHYL 2,3,3,3-TETRAFLUOROPROPIONATE
  • diethyl 2-(diethoxyphosphoryl)-2-fluoromalonate
  • Ethyl fluoroacetate
  • Ethyl chloroformate
  • ethoxycarbonylketene ethyltrimethylsilyl acetal
  • peroxysulfuric acid
  • fluoromalonaldehyde bis(diethyl acetal)

DownStream

  • N-Acetonylphthalimide
  • Tetraethyl 1-fluoro-2-(2-phthalimidoacetyl)propane-1,1,3,3-tetracarboxylate
  • Diethyl difluoromalonate
  • 2-Fluoro-3-methoxy-3-oxopropanoic acid
  • 2-fluorooctadecanoic acid
  • 5-Fluoropyrimidine-4,6-diol
  • 4(3H)-Pyrimidinone,5-fluoro-6-hydroxy-2-methyl-
  • DL-4-FluoroglutaMic acid
  • 6-fluoro-1,4,8,11-tetrazacyclotetradecane-5,7-dione
  • BENZOYL ISOTHIOCYANATE

Customs

[ HS Code ]: 2917190090

[ Summary ]:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Palladium-catalyzed arylation of malonates and cyanoesters using sterically hindered trialkyl- and ferrocenyldialkylphosphine ligands.

J. Org. Chem. 67(2) , 541-55, (2002)

Palladium-catalyzed reactions of aryl bromides and chlorides with two common stabilized carbanions-enolates of dialkyl malonates and alkyl cyanoesters-are reported. An exploration of the scope of thes...

Fluorinated probes to measure carboxylesterase activities using 19F NMR spectroscopy: application to erythrocytes and Helicobacter pylori.

Arch. Biochem. Biophys. 305(2) , 252-60, (1993)

Eight fluorinated compounds were tested as putative probes to measure carboxylesterase activity employing 19F nuclear magnetic resonance spectroscopy. The method takes advantage of the sensitivity of ...


More Articles

Related Compounds

  • diethyl 2-(diethoxyphosphoryl)-2-fluoromalonate
  • diethyl 2-ethyl-2-fluoromalonate
  • diethyl (4-methoxyphenylthio)methylphosphonate
  • diethyl N-methylaminomethylphosphonate
  • diethyl 2-(1-ethylsulfanyl-2-methylpropyl)propanedioate
  • diethyl 1-cyano-1-(4-isobutylphenyl)ethylphosphate