基本情報
- CAS
480-22-8- 標準SMILES
Oc1cccc2cc3cccc(O)c3c(O)c12- InChIKey
YUTJCNNFTOIOGT-UHFFFAOYSA-N- 分子式
- C14H10O3
- 平均分子量
- 226.23 g/mol
- 単同位体質量
- 226.06299418
概要
1,8,9-trihydroxyanthracene appears as odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence. (NTP, 1992)
名称と識別子
- 優先名称
- 1,8,9-Anthracenetriol
- IUPAC
- anthracene-1,8,9-triol
- 現地名
- 1,8,9-トリヒドロキシアントラセン
- 英語名
- 1,8,9-Trihydroxyanthracene
- 分子式
- C14H10O3
- 分子量
- 226.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
480-22-8- PubChem CID
- 10187
- DTXSID
DTXSID7026231- ChEMBL
CHEMBL1579066- ChEBI
CHEBI:2756- Nikkaji
- J5.223J
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 60.7 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 255
実験および物理化学的性質
Physical Description
1,8,9-trihydroxyanthracene appears as odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence. (NTP, 1992)
物理化学的性質
- 融点
- 181 °C · 181 °C
- 沸点
- 327.84 °C · 327.84°C (rough estimate)
- 比重(密度)
- 1.2022 · 1.2022 (rough estimate)
- 屈折率
- 1.5767 · 1.5767 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 6.23 · 6.23±0.30(Predicted)
- 色
- 黄色い粉
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- CAS データベース
- 480 · 480-22-8(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,8,9-Anthracenetriol (480-22-8)
化学的性質
化学的特性yellow crystalline powder
安全と法規制
危険有害性情報
Reactivity Profile
1,8,9-TRIHYDROXYANTHRACENE is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. This chemical is incompatible with strong oxidizing agents. (NTP, 1992).
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
安全データ
- rtecs
- CB1225000
- 毒性
- mmo-sat 100 mg/plate BCSTB5 5,1489,77
- hs_code
- 2907.29.9000
化学と産業
用途と製造
応用分野
使用Antipsoriatic.
一般的な説明Odorless yellow leaflets or needles; yellow powder. Tasteless. Filtrate from water suspension is neutral to litmus. When exposed to air, alkaline solutions turn red and lose their fluorescence.
調製方法
純化方法Crystallise it from pet ether and pKEst ~dry it in vcuo.[Beilstein 6 IV 7602.]
サプライヤー33 社
補足説明
定義ChEBI: An anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9.
関連反応
化合物ノート
読み込み中…