에틸 펜타플루오로프로니온에이트

Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester

HCID 67928CAS 426-65-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(F)(F)C(F)(F)F
InChIKey: DBOFMRQAMAZKQY-UHFFFAOYSA-N
분자식: C5H5F5O2
평균 분자량: 192.08 g/mol
단동위원소 질량: 192.0209705

이름 및 식별자

우선 이름: Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester
IUPAC: ethyl 2,2,3,3,3-pentafluoropropanoate
현지명: 에틸 펜타플루오로프로니온에이트
영어명: Ethyl pentafluoropropionate
분자식: C5H5F5O2
분자량: 192.08

이름 및 동의어

Ethyl pentafluoropropionateEthyl 2,2,3,3,3-pentafluoropropanoatePropanoic acid, pentafluoro-, ethyl esterEINECS 207-043-6DBOFMRQAMAZKQY-UHFFFAOYSA-Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl esterRefChem:869129207-043-6InChI=1/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3426-65-3Ethyl perfluoropropionateEthyl pentafluoropropanoate

이름 더 보기

에틸펜타플루오로프로니온에이트에틸 펜타플루오로프로피온에이트TIMTEC-BB SBB008810RARECHEM AL BI 0480ETHYL PENTAFLUOROPROPIOTEEthylPentafluoropropionate>Ethyl pentafluoropropanoate 98%

ethylpentafluoropropionatePENTAFLUOROPROPIONIC ACID ETHYL ESTERC5H5F5O2MFCD000004312,2,3,3,3-Pentafluoro-propionic acid ethyl esterJF10028Ethyl pentafluoropentanoate2,2,3,3,3-pentafluoropropionic acid ethyl ester

데이터베이스 식별자

CAS: 426-65-3
PubChem CID: 67928
DTXSID: DTXSID2059980
EC Number: 207-043-6
Nikkaji: J196.105E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

PFAS · 2건

PFAS -> Other/unspecified

물리화학적 성질

녹는점: 75.5 °C · 75.5°C
끓는 점: 75 · 75-76 °C (lit.)
밀도: 1.299 g/mL · 1.299 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.301(lit.)
인화점: 35 °F · 35 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.299 · 1.299
BRN: 1779789 · 1779789
InChI: InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey: DBOFMRQAMAZKQY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(F)(F)C(F)(F)F
EPA: Ethyl perfluoropropionate (426-65-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 2
HS 번호: 29159000
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-33-36
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester: INACTIVE

응용 분야

용도Ethyl pentafluoropropionate has been used:as pentafluoroethyl source in the direct synthesis of pentafluoroethyl copper (CuC2F5)in the synthesis of C-6 substituted fluoroalkenyl 2,4-dimethoxypyrimidine derivative