기본 정보
- CAS
1550-44-3- 표준 SMILES
CC(=O)OCC(F)F- InChIKey
PFJLHSIZFYNAHH-UHFFFAOYSA-N- 분자식
- C4H6F2O2
- 평균 분자량
- 124.09 g/mol
- 단동위원소 질량
- 124.03358587
이름 및 식별자
- 우선 이름
- 2,2-Difluoroethylacetate
- IUPAC
- 2,2-difluoroethyl acetate
- 현지명
- 2,2-디플루오로에틸아세테이트
- 영어명
- 2,2-Difluoroethyl Acetate
- 분자식
- C4H6F2O2
- 분자량
- 124.09
이름 및 동의어
2,2-difluoroethyl acetate1550-44-32,2-DifluoroethylacetateDTXSID00165789RefChem:441163DTXCID2088280801-773-4MFCD00069133Ethanol, 2,2-difluoro-, 1-acetateacetic acid 2,2-difluoro-ethyl esterdifluoroethylacetatedifluoroethyl acetate
이름 더 보기
2,2-디플루오로에틸아세테이트2,2-Difluoroacidester2,2-difluroethyl acetate2,2-difluoroethylacidester2,2-difluoroethyl ethanoate2,2-Difluoroethylacetate97%2,2-Difluoroethyl acetate 97%2,2-Difluoroethyl Acetate(DFEA)acetic acid 2,2-difluoroethyl ester
SCHEMBL333733SBB085543AKOS006229971Acetatic Acid 2,2-Difluoroethyl EsterBS-43894DB-043252D5040F20444
데이터베이스 식별자
- CAS
1550-44-3- PubChem CID
- 137074
- DTXSID
DTXSID00165789- EC Number
- 801-773-4
- Nikkaji
- J2.519.749F
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 82.1
실험 및 물리화학적 성질
SpringerMaterials PropertiesViscosity
물리화학적 성질
- 끓는 점
- 105 °C · 105°C
- 밀도
- 1 · 1,203 g/cm3
- 증기압
- 68 hPa · 68hPa at 25℃
- 굴절률
- 1.352 · 1.352
- 인화점
- 22 °C · 22°C
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 물리적 상태
- 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 1.21 · 1.21
- InChI
- InChI=1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
- InChIKey
- PFJLHSIZFYNAHH-UHFFFAOYSA-N
- SMILES
- C(OC(=O)C)C(F)F
- LogP
- 0.45 at · 0.45 at 20℃ and pH7.3-7.6
- 표면장력
- 70.5 mN/m · 70.5mN/m at 1g/L and 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (50%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/33878
Hazard Classes and CategoriesFlam. Liq. 2 (50%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3272
- HS 번호
- 2915390090
- risk_code
- 10-36/37/38
- hazard_code
- F
- safety_code
- 26-36/37/39
- 포장분류
- II
- 위험 등급
- FLAMMABLE
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanol, 2,2-difluoro-, 1-acetate: ACTIVE
응용 분야
개요2,2-Difluoroethyl Acetate is a fluorinated acyclic carboxylic acid ester. It could be prepared by reacting potassium acetate with HCF2CH2 Br. It is an essential component for the synthesis of active pharmaceutical ingredients (APIs) in medications aimed at different therapeutic areas. Furthermore, it functions as a precursor to insecticides and herbicides in agrochemical formulations.
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