기본 정보
- CAS
527-21-9- 표준 SMILES
O=C1C(F)=C(F)C(=O)C(F)=C1F- InChIKey
JKLYZOGJWVAIQS-UHFFFAOYSA-N- 분자식
- C6F4O2
- 평균 분자량
- 180.06 g/mol
- 단동위원소 질량
- 179.98344189
개요
structure
이름 및 식별자
- 우선 이름
- Fluoranil
- IUPAC
- 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione
- 현지명
- 사불화-1,4-벤조퀴논
- 영어명
- TETRAFLUORO-1,4-BENZOQUINONE
- 분자식
- C6F4O2
- 분자량
- 180.06
이름 및 동의어
527-21-9Fluoranil2,3,5,6-Tetrafluoro-1,4-benzoquinoneDTXSID20200661RefChem:140869DTXCID50123152208-411-9Tetrafluoro-1,4-benzoquinoneTetrafluoroquinonep-FluoranilTetrafluoro-p-benzoquinone2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione
이름 더 보기
사불화-1,4-벤조퀴논테트라플루오로-1,4-벤조퀴논p-Fluoranil,95%tetrafluoroparabenzeneTetrafluorobenzoquinone
FluoroanilTetrafluoro-p-quinoneMFCD00001592NSC 264881p-Benzoquinone, 2,3,5,6-tetrafluoro-2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrafluoro-EINECS 208-411-92,3,5,6-Tetrafluoro-p-benzoquinone
데이터베이스 식별자
- CAS
527-21-9- PubChem CID
- 68239
- DTXSID
DTXSID20200661- EC Number
- 208-411-9
- Nikkaji
- J22.269K
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
SpringerMaterials PropertiesSchoenflies notation
물리화학적 성질
- 녹는점
- 183 · 183-186 °C (subl.) (lit.)
- 끓는 점
- 133.1 · 133.1±40.0 °C(Predicted)
- 밀도
- 1.6138 · 1.6138 (estimate)
- 저장 조건
- Store at room temperature
- 물리적 상태
- powder to crystal
- 색상
- 밝은 노란색에서 갈색까지
- BRN
- 1875039 · 1875039
- 안정성
- 안정적인. 불연성. 강한 산화제, 알칼리 금속, 강한 환원제와 호환되지 않습니다.
- InChI
- 1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
- InChIKey
- JKLYZOGJWVAIQS-UHFFFAOYSA-N
- SMILES
- FC1=C(F)C(=O)C(F)=C(F)C1=O
화학적 성질
slightly brown powder with a pungent odour
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
CSL Reaction Information
CSL00130
TETRAFLUORO-1,4-BENZOQUINONE + TRIMETHYLALUMINUM
Chemical & Engineering News (20 May 1996) Vol. 74, No. 21, pp. 4. Aluminum compounds with perfluorophenol substituents have been identified as potentially explosive [Organometallics, 10, 1917 (1991)]. I wish to communicate my experience as well as that of my colleagues. Adding 1,4-tetrafluorodihydroquinone (1 mol equivalent) in toluene to a toluene solution of trimethyl aluminum (1.1 mol equivalents) resulted in a gel-like reaction mixture. Filtration and drying gave a white solid that was isolated in a nitrogen-filled glove box. A 50-mg sample of this solid detonated violently when pressed gently between a stainless-steel spatula and a glass surface. Fortunately, no one was hurt in this incident. Tris(pentafluorophenyl)aluminum etherate has been reported to be explosive when heated [Naturforschg., 20b, 5 (1965)]. Clearly, extreme caution should be used when handling compounds of aluminum with fluorinated ligands.
Explosive
Aluminum complexes with fluorinated ligands
Not Available
안전 데이터
- wgk
- 3
- HS 번호
- 29147000
- risk_code
- 36/37/38
- hazard_code
화학 및 산업
응용 분야
용도Tetrafluoro-1,4-benzoquinone (fluoranil) can be used to prepare: Symmetrical or unsymmetrical ethers by coupling of two alcohols via the oxidation-reduction condensation reaction. Azocino[4,3-b]indole scaffold, which is used as an inetermediate to prepare (±)-dasycarpidone. Chiral and racemic charge-transfer (CT) complexes with binaphthol.
공급사62 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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