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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 62.7
실험 및 물리화학적 성질
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
- 물리적 상태
- 액체
- 색상
- 무색~담황색
- Specific Gravity
- 1.098 · 1.098
- 수용성
- 물에서 분해되다
- 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
- NIST
- Acetic acid, fluoro-, ethyl ester(459-72-3)
- EPA
- Acetic acid, fluoro-, ethyl ester (459-72-3)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
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]
유해성 정보
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
안전 및 보호
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/
독성 정보
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).
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
- hazard_code
- T+,T,N
- safety_code
- 13-36/37/39-45-28A-16-61-26-22-20
- 포장분류
- II
- 위험 등급
- 6.1(a)
- 기존화학 물질
- KE-13706
- F 고인화성물질
- 21
- 위험 참고 사항
- Toxic
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 459-72-3(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
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.
응용 분야
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…