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기본 정보
- CAS
3096-56-8- 표준 SMILES
O=C1c2ccccc2-c2ccc(Br)cc21- InChIKey
MTCARZDHUIEYMB-UHFFFAOYSA-N- 분자식
- C13H7BrO
- 평균 분자량
- 259.1 g/mol
- 단동위원소 질량
- 257.96803
이름 및 식별자
- 우선 이름
- 2-Bromo-9-fluorenone
- IUPAC
- 2-bromofluoren-9-one
- 영어명
- 2-Bromo-9-fluorenone
- 분자식
- C13H7BrO
- 분자량
- 259.1
이름 및 동의어
2-Bromo-9-fluorenone3096-56-8DTXSID30352403RefChem:257528DTXCID60303468636-546-72-bromo-9H-fluoren-9-one2-bromofluoren-9-one9H-Fluoren-9-one, 2-bromo-C13H7BrOMFCD000107892-Bromo-9-fluorenone, 96%
이름 더 보기
2-Bromo-9-fL2-BromofluorenoneBromo-9-fluorenone2-Bromo –fluororenone2-BroMo-9H-fluorenone2-Bromo-9-Fluorenone98%2-Bromo-9-Fluorenone 98%
STK862294CS-W002061SB66682SY004753SR-010004143112-bromanylfluoren-9-oneOL10059BB 0269651
데이터베이스 식별자
- CAS
3096-56-8- PubChem CID
- 725831
- DTXSID
DTXSID30352403- EC Number
- 636-546-7
- Nikkaji
- J308.148F
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 276
물리화학적 성질
- 녹는점
- 146 · 146-148 °C (lit.)
- 끓는 점
- 392.8 · 392.8±21.0 °C(Predicted)
- 밀도
- 1.4633 · 1.4633 (rough estimate)
- 굴절률
- 1.513 · 1.5130 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 다른 용매에 대한 용해도, 아세톤에 용해됨.
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
- InChIKey
- MTCARZDHUIEYMB-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
화학적 성질
yellow powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.
Warning
H315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 44 reports by companies.；There are 5 notifications provided by 42 of 44 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 25-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30012
Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)；Eye Irrit. 2A (93.2%)；STOT SE 3 (90.9%)
규제 정보
Regulatory InformationStatus: Active Update: 25-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30012
안전 데이터
화학 및 산업
응용 분야
개요2-Bromo-9-fluorenone is a brominated derivative of 9-Fluorenone which is used in the preparation of antimalarial drugs. It is used as organic intermediates functional materials. It is mainly used as best liquid crystal material. It is used as an OLED intermediate. the maximum and minimum solubility of 2-bromo-9-fluorenone was 0.0526 (mole fraction) in 1,4-dioxane at 323.15 K and 0.0002 (mole fraction) in methanol at 278.15 K, respectively, and the solubility increased with the increase in temperature in all solvents[1].
용도2-Bromo-9-fluorenone, a functional material as an organic intermediate. It is the best liquid crystal material and is used as an intermediate for OLED.
상·하류 제품 정보
하류 제품
공급사100 곳
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