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
Show more names
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
- Formal charge
- 0
- Complexity
- 62.7
Experimental & physicochemical properties
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
- form
- Liquid
- color
- Colorless to pale yellow
- Specific Gravity
- 1.098 · 1.098
- Water Solubility
- DECOMPOSES
- Merck
- 14 · 14,4167
- BRN
- 1743761 · 1743761
- InChI
- 1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3
- InChIKey
- VCYZVXRKYPKDQB-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CF
- CAS DataBase Reference
- 459 · 459-72-3(CAS DataBase Reference)
- FDA UNII
- 1 L6UM7B · AUS1L6UM7B
- NIST Chemistry Reference
- Acetic acid, fluoro-, ethyl ester(459-72-3)
- EPA Substance Registry System
- Acetic acid, fluoro-, ethyl ester (459-72-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H314-H226
- Precautionary statements
- 501 · P501-P260-P270-P262-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T+,T,N
- Risk Statements
- 10 · 10-26/27/28-50-28
- Safety Statements
- 13 · 13-36/37/39-45-28A-16-61-26-22-20
- RIDADR
- 2929 · UN 2929 6.1/PG 1
- WGK Germany
- 3 · 3
- RTECS
- 7175000 · AH7175000
- F
- 21 · 21
- Hazard Note
- Toxic
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- HS Code
- 29159080 · 29159080
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 OralAcute · Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Flam. Liq. 3
- Hazardous Substances Data
- 459 · 459-72-3(Hazardous Substances Data)
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
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
Hazards Summary
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
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Safety & protection
Threshold Limit Values (TLV)
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
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.
Non-Human Toxicity Excerpts
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).
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
- hs_code
- 29159080
- risk_code
- 10-26/27/28-50-28
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- T+,T,N
- hazard_note
- Toxic
- safety_code
- 13-36/37/39-45-28A-16-61-26-22-20
- hazard_class
- 6.1(a)
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H300+H310+H330-H314-H226
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Flam. Liq. 3
- Precautionary statements
- P501-P260-P270-P262-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
- Hazardous Substances Data
- 459-72-3(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Uses & manufacturing
General Manufacturing Information
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
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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