データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
3096-56-8- 標準SMILES
O=C1c2ccccc2-c2ccc(Br)cc21- InChIKey
MTCARZDHUIEYMB-UHFFFAOYSA-N- 分子式
- C13H7BrO
- 平均分子量
- 259.1 g/mol
- 単同位体質量
- 257.96803
名称と識別子
- 優先名称
- 2-Bromo-9-fluorenone
- IUPAC
- 2-bromofluoren-9-one
- 現地名
- 2-ブロモ-9-フルオレノン
- 英語名
- 2-Bromo-9-fluorenone
- 分子式
- C13H7BrO
- 分子量
- 259.1
名称と別名
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%
名称をさらに表示
2-ブロモ-9-フルオレノン2-ブロモ-9H-フルオレン-9-オン2-ブロモフルオレン-9-オン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
データベース識別子
- CAS
3096-56-8- PubChem CID
- 725831
- DTXSID
DTXSID30352403- EC Number
- 636-546-7
- Nikkaji
- J308.148F
物性
構造計算による物性補完中
- XLogP
- 4.3
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 276
物理化学的性質
- 融点
- 146 · 146-148 °C (lit.)
- 沸点
- 392.8 · 392.8±21.0 °C(Predicted)
- 比重(密度)
- 1.4633 · 1.4633 (rough estimate)
- 屈折率
- 1.513 · 1.5130 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 他の溶媒への溶解性、アセトンに可溶。
- 外見
- powder to crystal
- 色
- 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
- CAS データベース
- 3096 · 3096-56-8(CAS DataBase Reference)
化学的性質
化学的特性yellow powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
法規制情報
Regulatory InformationStatus: Active Update: 25-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30012
安全データ
化学と産業
応用分野
用途有機合成原料。
説明2-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].
使用2-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.
上流・下流製品情報
下流製品
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
関連反応
11 件
化合物ノート
読み込み中…