フルオロ酢酸エチル

Ethyl fluoroacetate

HCID 9988

基本情報

CAS
459-72-3
標準SMILES
CCOC(=O)CF
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
分子式
C4H7FO2
平均分子量
106.1 g/mol
単同位体質量
106.04300768

名称と識別子

優先名称
Ethyl fluoroacetate
IUPAC
ethyl 2-fluoroacetate
現地名
フルオロ酢酸エチル
英語名
Ethyl fluoroacetate
分子式
C4H7FO2
分子量
106.1

名称と別名

ETHYL FLUOROACETATE459-72-3ethyl 2-fluoroacetateEthyl monofluoroacetateAcetic acid, fluoro-, ethyl esterFluoroacetic Acid Ethyl EsterMonofluoroacetic acid ethyl esterEthylester kyseliny fluoroctoveHSDB 2846AUS1L6UM7BEINECS 207-297-8NSC 133459
名称をさらに表示
フルオロ酢酸エチル2-フルオロ酢酸エチルエチル=フルオロアセタートエチルフルオロアセテ-トエチル=2-フルオロアセタートエチル=2-フルオロアセタ?トエチル 2-フルオロアセタート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

データベース識別子

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

物性

構造計算による物性

XLogP
0.9
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
7

実験および物理化学的性質

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

物理化学的性質

沸点
119.3 °C753 · 119.3 °C753 mm Hg(lit.)
比重(密度)
1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.375(lit.)
闪点
86 °F · 86 °F
貯蔵温度
Flammables area
溶解性
水溶性

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

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 件

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 件

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

安全と保護具

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 件

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/

毒性情報

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

...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 件

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/

安全データ

F
21
wgk
3
tsca
TSCA listed
rtecs
AH7175000
ridadr
UN 2929 6.1/PG 1
hs_code
29159080

化学と産業

薬理情報

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

用途と製造

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 件

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.

応用分野 · 4 件

用途試薬、有機合成中間体

説明Ethyl 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.

使用Ethyl 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.

一般的な説明Ethyl fluoroacetate is an ester organic solvent.

サプライヤー100 社

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関連反応

47 件

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