1,8,9-トリヒドロキシアントラセン

1,8,9-Anthracenetriol

HCID 10187

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

1,8,9-Trihydroxyanthracene1,8,9-ANTHRACENETRIOLDTXSID7026231DTXCID3062311,8,9AnthratriolRefChem:4178641,8,9Trihydroxyanthracene480-22-8anthracene-1,8,9-triol1,8,9-Anthratriol1,8-Dihydroxyanthranol1,8-Dihydroxy-9-anthranol
名称をさらに表示
1,8,9-トリヒドロキシアントラセンアントラセン-1,8,9-トリオールシグノリン1,8,9-アントラセントリオール1,8-Dihydroxy-9-anthroneLasanDerobinCignolinBatidrolAntradermDermalineCigthranolPsoradrate
MFCD00001250MLS000028411SMR000058389Cygnolin1,9-AnthratriolDihydroxy-Anthranol1,9-Anthracenetriol1,9-Trihydroxyanthracene

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

実験および物理化学的性質

Solubilityless than 1 mg/mL at 63 °F (NTP, 1992)
Melting Point349 to 358 °F (NTP, 1992)
Physical Description · 1 件

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)

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

Regulatory InformationChemical: 1,8,9-Anthracenetriol
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. It can stain the skin reddish-brown.
Reactive GroupPhenols and Cresols
Reactivity Profile · 1 件

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

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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 · 1 件

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.

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

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

UsesSynthetic Polymer MALDI Matrix Compounds

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

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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

1 件

化合物ノート

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