기본 정보
- 표준 SMILES
O=C1c2ccccc2-c2ccccc21- InChIKey
YLQWCDOCJODRMT-UHFFFAOYSA-N- 분자식
- C13H8O
- 평균 분자량
- 180.2 g/mol
- 단동위원소 질량
- 180.05751487
이름 및 식별자
- 우선 이름
- Fluorenone
- IUPAC
- fluoren-9-one
- 현지명
- 9-플루오레논
- 영어명
- 9-Fluorenone
- 분자식
- C13H8O
- 분자량
- 180.2
이름 및 동의어
9-Fluorenone486-25-99H-Fluoren-9-oneFluoren-9-oneFLUORENONEDiphenylene ketone9-OxofluoreneDTXSID6049307AZ9T83S2AQNSC-5181DTXCID5029263CHEBI:17922
이름 더 보기
9-플루오레논플루오레논플루로넨-9-온9H-플루오렌-9-온9-옥소플루오렌다이페닐렌 케톤플루오렌-9-온9-FLUORENONuorenoneDluoren-9-one9-Fluoreneone
RefChem:6603207-630-7C13H8OMFCD000011419H-Fluorene-9-oneCHEMBL571655CCRIS 593HSDB 5490
데이터베이스 식별자
- CAS
486-25-9- PubChem CID
- 10241
- DTXSID
DTXSID6049307- ChEMBL
CHEMBL571655- ChEBI
CHEBI:17922- UNII
- AZ9T83S2AQ
- EC Number
- 207-630-7
- Nikkaji
- J2.596H
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 222
물리화학적 성질
- 녹는점
- 80 · 80-83 °C (lit.)
- 끓는 점
- 342 °C · 342 °C (lit.)
- 밀도
- 0 · 0,9 g/cm3
- 증기압
- 0.005 · 0.005-0.2Pa at 20-50℃
- 굴절률
- 1.6309 · 1.6309 (estimate)
- 인화점
- 163 °C · 163 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 결정질 분말 또는 플레이크
- 색상
- 노란색
- 수용성
- 불용성
- BRN
- 1636531 · 1636531
- Henry's Law Constant
- 6.4 · 6.4×100 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
- InChIKey
- YLQWCDOCJODRMT-UHFFFAOYSA-N
- SMILES
- O=C1c2ccccc2-c3ccccc13
- LogP
- 3.25 at · 3.25 at 25℃ and pH7.7
- NIST
- 9 H-Fluoren-9-one · 9H-Fluoren-9-one(486-25-9)
- EPA
- 9 · 9-Fluorenone (486-25-9)
화학적 성질
yellow flakes, chips or crystalline powder; Soluble in ethanol and ether, insoluble in water.
안전 및 규제
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LL8925000
- 독성
- LD50 orally in Rabbit: > 3900 mg/kg
- HS 번호
- 29143900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36/37/39-27-26
- 기존화학 물질
- 2009-3-3982
- 위험 참고 사항
- Irritant
- 자연 발화 온도
- 608 °C
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 486-25-9(Hazardous Substances Data)
화학 및 산업
응용 분야
개요9-fluorenone is an important intermediate for organic synthesis. It can be used to manufacture a variety of fine chemicals, mainly used as a modifier for the production of polymer materials, bisphenol fluorene, fluorenyl benzoxazine resin, acrylic resin, polyester, polycarbonate and epoxy resin. In the laboratory, fluorene was used as the raw material, dimethyl sulfoxide as the solvent, sodium hydroxide as the catalyst and oxygen as the oxidant. The oxidizing reaction was carried out by a tower packing reactor. The reaction solution was cooled and filtered to obtain a crude fluorenone. The content of crude fluorenone is 93%. We can recover 94% of the solvent and part of the crude fluorenone through distillation of the filtrate. The crude fluorenone is purified by directional crystallization to obtain yellow flaky fluorenone that have a purity of 99.8% or more.
용도9-Fluorenone is used in the preparation of antimalarial drugs. It is a fluorene derivative. Further, it is used in functional polymer and in dyes.
제조 방법
Fluorenone can be produced by catalytic oxidation of fluorene, or of fluorene fractions in the presence of a quarternary ammonium salt, or by catalytic oxidative cracking (oxicracking) of a suitable aromatic.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: Fluoren-9-one is the simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. It has a role as a fungal xenobiotic metabolite.
관련 반응
88건
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