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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 62.7
実験および物理化学的性質
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
- 外見
- 液体
- 色
- 無色~淡黄色
- 比重
- 1.098 · 1.098
- 水溶解度
- 分解する
- 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 データベース
- 459 · 459-72-3(CAS DataBase Reference)
- NISTの化学物質情報
- Acetic acid, fluoro-, ethyl ester(459-72-3)
- EPAの化学物質情報
- Acetic acid, fluoro-, ethyl ester (459-72-3)
化学的性質
化学的特性clear colorless liquid
安全と法規制
GHS分類
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]
危険有害性情報
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
安全と保護具
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/
毒性情報
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).
安全データ
- F
- 21
- 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
- 化審法
- (2)-3837
- 消防法
- 危-4-2-III
- 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)
- packing_group
- II
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 459-72-3(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
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.
応用分野
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.
上流・下流製品情報
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下流製品
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