플루오로아세트산에틸에스테르

Ethyl fluoroacetate

HCID 9988CAS 459-72-3

기본 정보

표준 SMILES
CCOC(=O)CF
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
분자식
C4H7FO2
평균 분자량
106.1 g/mol
단동위원소 질량
106.04300768

이름 및 식별자

우선 이름
Ethyl fluoroacetate
IUPAC
ethyl 2-fluoroacetate
현지명
플루오로아세트산에틸에스테르
영어명
Ethyl fluoroacetate
분자식
C4H7FO2
분자량
106.1

이름 및 동의어

ETHYL FLUOROACETATE459-72-3ethyl 2-fluoroacetateEthyl monofluoroacetateAcetic acid, fluoro-, ethyl esterFluoroacetic Acid Ethyl EsterMonofluoroacetic acid ethyl esterEthylester kyseliny fluoroctoveHSDB 2846AUS1L6UM7BEINECS 207-297-8NSC 133459
이름 더 보기
에틸플루오로아세테이트에틸플루오로아세트산플루오로아세트산에틸에스테르에틸플루오로아세트산에틸 플루오로아세테이트EthylfluroracetateFluoroethylethanoateEthylfluoroacetate98%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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.9
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
7

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점
119.3 °C753 · 119.3 °C753 mm Hg(lit.)
밀도
1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.375(lit.)
인화점
86 °F · 86 °F
저장 조건
Flammables area
용해도
물에 용해

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

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

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 · 2건

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

안전 및 보호

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) · 4건

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/

독성 정보

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

...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 · 1건

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/

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AH7175000
ridadr
UN 2929 6.1/PG 1
HS 번호
29159080
risk_code
10-26/27/28-50-28

화학 및 산업

약리 정보

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

용도 및 제조

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 · 2건

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.

응용 분야 · 3건

개요Ethyl 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.

용도Ethyl 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.

일반 설명Ethyl fluoroacetate is an ester organic solvent.

공급사50 곳

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