Ethyl bromodifluoroacetate
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기본 정보
- CAS
667-27-6- 표준 SMILES
CCOC(=O)C(F)(F)Br- InChIKey
IRSJDVYTJUCXRV-UHFFFAOYSA-N- 분자식
- C4H5BrF2O2
- 평균 분자량
- 202.98 g/mol
- 단동위원소 질량
- 201.94409794
이름 및 식별자
- 우선 이름
- Ethyl bromodifluoroacetate
- IUPAC
- ethyl 2-bromo-2,2-difluoroacetate
- 영어명
- Ethyl bromodifluoroacetate
- 분자식
- C4H5BrF2O2
- 분자량
- 202.98
이름 및 동의어
Ethyl bromodifluoroacetate667-27-6ethyl 2-bromo-2,2-difluoroacetate2QFZ6JJ5YH2-bromo-2,2-difluoroacetic acid ethyl esterEINECS 211-567-0IRSJDVYTJUCXRV-UHFFFAOYSA-DTXSID40216845Acetic acid, 2-bromo-2,2-difluoro-, ethyl esterRefChem:138888DTXCID70139336211-567-0
이름 더 보기
2-broMo-2,2-difluoroacetateEBDAEBFAbromodifLEthyl bromodifluoroaEthylbromdifluoracetatTwoethyl broMidefluorideEthybromodifluoroacetate
InChI=1/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3IRSJDVYTJUCXRV-UHFFFAOYSA-NEthylbromodifluoroacetateBromodifluoroacetic Acid Ethyl Esterethyl difluorobromoacetateAcetic acid, bromodifluoro-, ethyl esterethyl bromo(difluoro)acetateethyl 2-bromo-2,2-difluoro-acetate
데이터베이스 식별자
- CAS
667-27-6- PubChem CID
- 69585
- DTXSID
DTXSID40216845- UNII
- 2QFZ6JJ5YH
- EC Number
- 211-567-0
- Nikkaji
- J205.964I
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 115
물리화학적 성질
- 끓는 점
- 112 °C/700 · 112 °C/700 mmHg (lit.)
- 밀도
- 1.583 g/mL · 1.583 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.387(lit.)
- 인화점
- 70 °F · 70 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 대부분의 유기용매에 용해됩니다.
- 물리적 상태
- 액체
- 색상
- 무색투명~미황색
- Specific Gravity
- 1.583 · 1.583
- BRN
- 1906095 · 1906095
- InChI
- InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
- InChIKey
- IRSJDVYTJUCXRV-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(Br)(F)F
- NIST
- Ethyl bromodifluoroacetate(667-27-6)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (96.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 28-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31053
Acetic acid, bromodifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (96.3%)
안전 데이터
- wgk
- 3
- tsca
- No
- ridadr
- UN 2924 3/PG 2
- HS 번호
- 2915900090
- risk_code
- 10-34-36
- hazard_code
- C,F,Xi
- safety_code
- 26-36/37/39-45-16-27
- 포장분류
- II
- 위험 등급
- 3
- 위험 참고 사항
- Irritant/Flammable
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
개요Ethyl bromodifluoroacetate, a clear to yellow liquid, is an ester of bromodifluoroacetic acid and ethyl alcohol. It is an ester that can be used to introduce the CF2 group when synthesizing chemical compounds. Ethyl bromdifluoroacetate is considered to be a good compound in the generation of compounds and for testing with other organic compounds like lactones, imines, and other amino acids.
용도Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.
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