Ethylfluoracetat

Ethyl fluoroacetate

HCID 9988CAS 459-72-3

Grundinformationen

Standard-SMILES
CCOC(=O)CF
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
Summenformel
C4H7FO2
Durchschnittliche Molmasse
106,1 g/mol
Monoisotopische Masse
106,04300768

Namen und Bezeichner

Bevorzugter Name
Ethyl fluoroacetate
IUPAC
ethyl 2-fluoroacetate
Lokaler Name
Ethylfluoracetat
Englischer Name
Ethyl fluoroacetate
Summenformel
C4H7FO2
Molmasse
106.1

Namen und Synonyme

ETHYL FLUOROACETATE459-72-3ethyl 2-fluoroacetateEthyl monofluoroacetateAcetic acid, fluoro-, ethyl esterFluoroacetic Acid Ethyl EsterMonofluoroacetic acid ethyl esterEthylester kyseliny fluoroctoveHSDB 2846AUS1L6UM7BEINECS 207-297-8NSC 133459
Weitere Namen anzeigen
EthylfluroracetateFluoroethylethanoateEthylfluoroacetate98%EthylFluoroacetate>ETHYL MONOFLUOROACETATEEthyl fluoroacetate 98%Fluoroacetic acid ethylEthyl fluoroacetate,97%
Ethylester kyseliny fluoroctove [Czech]BRN 1743761NSC-133459DTXSID8060034Acetic acid, 2-fluoro-, ethyl esterFLUOROACETIC ACID ETHYL ESTER [MI]RefChem:596194DTXCID6040456

Datenbank-Bezeichner

CAS
459-72-3
PubChem CID
9988
DTXSID
DTXSID8060034
UNII
AUS1L6UM7B
EC Number
207-297-8
Nikkaji
J26.229C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Plant Toxins
SpringerMaterials PropertiesBoiling point
OdorODOR OF ETHYL ACETATE
Density1.0926 @ 20.5 °C
Color/FormLIQUID
SolubilitySOL IN WATER

Physikochemische Eigenschaften

Siedepunkt
119.3 °C753 · 119.3 °C753 mm Hg(lit.)
Dichte
1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.375(lit.)
Flammpunkt
86 °F · 86 °F
storage temp.
Flammables area
Löslichkeit
water: soluble

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 100 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

Gefahrenhinweise

Regulatory InformationEthyl fluoroacetate: HSNO Approval: HSR006123 Approved with controls
Other Safety InformationIMAP assessments - Acetic acid, fluoro-, ethyl ester: Environment tier I assessment
Hazards Summary · 1 Eintrag

Emergency treatment: Fluoroacetate-1080; Fluoroacetate is a rodenticide highly toxic by ingestion, inhalation, or skin absorption. Patients have vomiting and diarrhea, and in serious cases, seizures, dysrhythmias, hypotension, respiratory depression, and coma. The lethal dose of ethyl fluoroacetate (20-100 mg/kg) is about ten times that of sodium fluoroacetate. [HSDB] A lachrymator; May cause irritation; Targets CNS and cardiovascular system; [MSDSonline] See Sodium fluoroacetate.

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

Sicherheit und Schutzausrüstung

Preventive MeasuresANY HANDLING OF FLUORINATED ESTERS /INCL ETHYL FLUOROACETATE/...SHOULD BE DONE ONLY AFTER...PREPN FOR ALL POSSIBLE MEANS OF PREVENTING INTAKE INTO THE BODY.
Threshold Limit Values (TLV) · 4 Einträge

8 hr Time Weighted Avg (TWA): 2.5 mg/cu m. /Fluorides, as F/

Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded. /Fluorides, as F/

A4; Not classifiable as a human carcinogen. /Fluorides, as F/

Biological Exposure Index (BEI): Determinant: fluorides in urine; Sampling Time: prior to shift; BEI: 3 mg/g creatinine. Determinant: fluorides in urine; Sampling Time: end of shift; BEI: 10 mg/g creatinine. The determinant may be present in biological specimens collected from subjects who have not been occupationally exposed, at a concentration which could affect interpretation of the result. Such background concentrations are incorporated in the BEI value. The determinant is nonspecific, since it is also observed after exposure to other chemicals. /Fluorides/

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity Excerpts · 5 Einträge

...MAJOR TOXIC EFFECTS OF FLUOROACETATES IN MAN INVOLVE CNS & CARDIOVASCULAR SYSTEM. SEVERE EPILEPTIFORM CONVULSIONS ALTERNATE WITH COMA & DEPRESSION; DEATH MAY RESULT FROM ASPHYXIA DURING CONVULSION OR FROM RESP FAILURE. /FLUOROACETATES/

MOST PROMINENT FEATURES /OF FLUOROACETATE TOXICITY/...ARE CARDIAC IRREGULARITIES...VENTRICULAR FIBRILLATION & SUDDEN CARDIAC ARREST...USUALLY PRECEDED BY...LATENT PERIOD OF UP TO 6 HR CHARACTERIZED BY NAUSEA, VOMITING, EXCESSIVE SALIVATION, NUMBNESS...EPIGASTRIC PAIN & MENTAL APPREHENSION... /FLUOROACETATES/

...OTHER SIGNS & SYMPTOMS WHICH MAY DEVELOP SUBSEQUENTLY INCL MUSCULAR TWITCHING, LOW BLOOD PRESSURE & BLURRED VISION. /FLUOROACETATES/

...LITERATURE GIVES LITTLE INFORMATION ON IRRITANT PROPERTIES, IT APPEARS... ETHYL FLUOROACETATE...LACK/S/ INTENSE LOCAL EFFECTS ON EYE OF BROMO- & IODOACETATE ESTERS.

SIMPLE DERIV OF FLUOROACETIC ACID ARE GENERALLY HIGHLY TOXIC TO WIDE VARIETY OF VERTEBRATES & INVERTEBRATES. MODE OF ACTION INVOLVES IN VIVO CONVERSION OF FLUOROACETATE TO FLUOROCITRIC ACID SO THAT FLUOROACETIC ACID ESTERS...& OTHER SIMPLE COMPD...HYDROLYZED OR OXIDIZED IN VIVO TO FLUOROACETATE ARE ALSO HIGHLY TOXIC.

Non-Human Toxicity Excerpts · 1 Eintrag

ETHYL FLUORORACETATE, HAS LD50 OF 6-10 MG/KG IN MICE, VERY SIMILAR TO FLUOROACETIC ACID. ...2-FLUOROETHYL ACETATE...IS ONLY SLIGHTLY LESS TOXIC, HAVING LD50'S OF 18 MG/KG (THESE ACTIVE FLUORO COMPD HAVE ALMOST IDENTICAL LD50'S BY ANY ROUTE OR ADMIN).

Evidence for CarcinogenicityA4; Not classifiable as a human carcinogen. /Fluorides, as F/

Sicherheitsdaten

F
21
wgk
3
tsca
TSCA listed
ridadr
UN 2929 6.1/PG 1
hs_code
29159080
RTECS-Nr.
AH7175000

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesETHYL FLUOROACETATE POSSESSES NEARLY ORIGINAL POTENCY OF FLUOROACETIC ACID, INDICATING RAPID HYDROLYSIS IN BODY TO LATTER COMPD...

Verwendung und Herstellung

UsesToxin in poisonous plants; [Merck Index]
Methods of ManufacturingFLUOROACETIC ACID...PREPD COMMERCIALLY BY REACTING PURIFIED ETHYL CHLOROACETATE WITH DRY, POWDERED POTASSIUM FLUORIDE IN STIRRED AUTOCLAVE @ 200 °C FOR CA 11 HR. RESULTANT ETHYL FLUOROACETATE...
General Manufacturing Information · 2 Einträge

Acetic acid, 2-fluoro-, ethyl ester: ACTIVE

THIS VOL CONTAINS REVIEWS OF CHEM REACTIVITY OF CARBON-FLUORINE BOND & ITS PHYSICAL CHARACTERISTICS. SOME TOPICS CONSIDERED ARE TOXIC EFFECTS OF CARBON-FLUORINE COMPD.

Anwendungen · 3 Einträge

BeschreibungDer Fluoressigsäureethyester stellt eine farblose, wasserunlösliche, sehr giftige Flüssigkeit dar. Die Verbindung wurde im 2. Weltkrieg von alliierter Seite als chemischer Kampfstoff in Betracht gezogen, kam jedoch nicht zum Einsatz.

BeschreibungEthyl fluoroacetate is an ester organic solvent. It was used in the synthesis of 4-deoxy-4-fluoro-muscarines. It was used as starting reagent for the synthesis of ethyl(diethoxyphosphoryl)fluoroacetate. It was used in development of an ammonolysis-based microencapsulation process.

VerwendenEthyl fluoroacetate is used in the synthesis of 4-deoxy-4-fluoro-muscarines. It is also used as starting reagent for the synthesis of ethyl(diethoxyphosphoryl)fluoroacetate. and in development of an ammonolysis-based microencapsulation process.

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