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Ethyl fluoroacetate

Ethyl fluoroacetate structure

CAS No:
459-72-3
Formula:
C4H7FO2
Chemical Name:
Ethyl fluoroacetate
Synonyms:
Acetic acid,2-fluoro-,ethyl ester;Acetic acid,fluoro-,ethyl ester;Ethyl fluoroacetate;Ethyl monofluoroacetate;Monofluoroacetic acid ethyl ester;NSC 133459;Fluoroacetic acid ethyl ester;Ethyl 2-fluoroacetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

Ethyl fluoroacetate Basic Attributes

Molecular Weight：

106.096

Exact Mass：

106.10

EC Number：

207-297-8

UNII：

AUS1L6UM7B

NSC Number：

133459

DSSTox ID：

DTXSID8060034

Color/Form：

LIQUID

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

0.37

Density：

1.0926 g/cm³ @ Temp: 20.5 °C

Boiling Point：

121.6 °C @ Press: 758 Torr

Flash Point：

30.0±0.0 °C

Refractive Index：

1.354

Water Solubility：

DECOMPOSES

Vapor Density：

3.7 (AIR= 1)

Odor：

ODOR OF ETHYL ACETATE

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2929 6.1/PG 1

wgk germany：

hazard class code：

R10;R26/27/28

safety instructions：

S13-S36/37/39-S45-S28A-S16

RTECS Number：

AH7175000

Marks：

T+:Verytoxic;

Precautionary statement(s)：

P264-P273-P301 + P310

Hazard Statements：

H226-H300-H400

GHS Classification：

|Danger|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501

Preventive Measures：

ANY HANDLING OF FLUORINATED ESTERS /INCL ETHYL FLUOROACETATE/...SHOULD BE DONE ONLY AFTER...PREPN FOR ALL POSSIBLE MEANS OF PREVENTING INTAKE INTO THE BODY.

Drug Information

Metabolism/Metabolites：

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

Human Toxicity Excerpts：

...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.

Ethyl fluoroacetate Use and Manufacturing

Methods of Manufacturing

FLUOROACETIC 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...

Uses

Sodium salt as water-soluble rodenticide.

Manufacturing Info：

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.

Computed Properties

Molecular Weight:106.10
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:106.04300762
Monoisotopic Mass:106.04300762
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:62.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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