Ethyl fluoroacetate

HCID 9988

Basic information

CAS
459-72-3
Standard SMILES
CCOC(=O)CF
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
Molecular formula
C4H7FO2
Average molar mass
106.1 g/mol
Monoisotopic mass
106.04300768

Names & identifiers

Preferred name
Ethyl fluoroacetate
IUPAC
ethyl 2-fluoroacetate
English name
Ethyl fluoroacetate
Molecular formula
C4H7FO2
Molecular weight
106.1

Names & synonyms

ETHYL FLUOROACETATE459-72-3ethyl 2-fluoroacetateEthyl monofluoroacetateAcetic acid, fluoro-, ethyl esterFluoroacetic Acid Ethyl EsterMonofluoroacetic acid ethyl esterEthylester kyseliny fluoroctoveHSDB 2846AUS1L6UM7BEINECS 207-297-8NSC 133459
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
7

Experimental & physicochemical properties

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

Physicochemical properties

Boiling point
119.3 °C753 · 119.3 °C753 mm Hg(lit.)
Density
1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.375(lit.)
Flash point
86 °F · 86 °F
storage temp.
Flammables area
solubility
water: soluble

Safety & regulation

GHS classification

GHS Classification · 6 items

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]

Hazard information

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 item

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 items

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

Safety & protection

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 items

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/

Toxicology

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

...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 item

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/

Safety data

F
21
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
AH7175000
ridadr
UN 2929 6.1/PG 1

Chemistry & industry

Pharmacology

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

Uses & manufacturing

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 items

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.

Applications · 4 items

DescriptionEthyl 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.

UsesEthyl 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.

UsesSodium salt as water-soluble rodenticide.

General DescriptionEthyl fluoroacetate is an ester organic solvent.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

47 records

Compound notes

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