1-Amino-4-hydroxyanthraquinone (HCID 8323)

名称と識別子

優先名称: 1-Amino-4-hydroxyanthraquinone
IUPAC: 1-amino-4-hydroxyanthracene-9,10-dione
現地名: 1-アミノ-4-ヒドロキシアントラキノン
英語名: Celliton Fast Pink B
分子式: C14H9NO3
分子量: 239.23

名称と別名

1-AMINO-4-HYDROXYANTHRAQUINONE116-85-8Disperse Red 15Calcosyn Pink BC.I. Disperse Red 15Celutate Pink BNCelutate Pink BNacelan Pink BAmacel Pink BCelutate Pink BYDisperse Red 2SSetacyl Pink 3B

名称をさらに表示

1-アミノ-4-ヒドロキシアントラキノン1-アミノ-4-ヒドロキシ-9,10-アントラキノン4-アミノ-1-ヒドロキシアントラキノン1-アミノ-4-ヒドロキシ-9,10-アントラセンジオン1-ヒドロキシ-4-アミノアントラセン-9,10-ジオンC.I.ディスパースレッド15C.I.ディスパーズレッド151‐アミノ‐4‐ヒドロキシアントラキノン1-アミノ-4-ヒドロキシアントラセン-9,10-ジオンディスパースレッド15標準品param1a-4oaNSC1485NSC 1485NSC-1485SRArotVIIc.i.60710C.I. 60710

Artisil Red 3BPCibacet Red 3BPara MAcetate Fast Red 2BNeosetile Pink BNPerliton Pink 3BMicrosetile Pink BNCilla Fast Pink BN

データベース識別子

CAS: 116-85-8
PubChem CID: 8323
DTXSID: DTXSID1059440
ChEMBL: CHEMBL88326
UNII: 15FG1M8OP9
EC Number: 204-163-0
Nikkaji: J2.903C

物性

構造計算による物性

XLogP: 3.4
極性表面積: 80.4 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 18
形式電荷: 0
複雑度: 381

実験および物理化学的性質

Chemical ClassesDyes -> Anthraquinone Dyes

CosmeticsHair dyeing

SpringerMaterials PropertiesBoiling point

LogP1.8

Physical DescriptionPowder; [Alfa Aesar MSDS]

物理化学的性質

融点: 207 · 207-209 °C
沸点: 381.88 °C · 381.88°C (rough estimate)
比重(密度): 1.2326 · 1.2326 (rough estimate)
屈折率: 1.47 · 1.4700 (estimate)
酸解離定数(Pka): 7.38 · 7.38±0.20(Predicted)
外見: 結晶性粉末
色: 濃い紫～こげ茶色
水溶解度: 水、エタノール、アセトン、ベンゼンに可溶。
Henry's Law Constant: 3.8 · 3.8×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
化粧品成分の機能: ヘアカラーリング
CAS データベース: 116 · 116-85-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Hydroxy-4-aminoanthraquinone(116-85-8)
EPAの化学物質情報: 9 · 9,10-Anthracenedione, 1-amino-4-hydroxy- (116-85-8)

化学的性質

化学的特性deep purple to dark brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-4-hydroxy-

Other Safety InformationIMAP assessments - 9,10-Anthracenedione, 1-amino-4-hydroxy-: Environment tier I assessment

Hazards SummaryMay cause irreversible effects; Suspected to cause genetic defects; An irritant; [Alfa Aesar MSDS] See 1,4-Diaminoanthraquinone.

Hazard Classes and CategoriesMuta. 2 (100%)

安全データ

tsca: TSCA listed
rtecs: CB5600000
毒性: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428,
hs_code: 29225000
risk_code: 68-65-40-33
化審法: (4)-716
hazard_code: Xn
safety_code: 36/37-24/25

化学と産業

用途と製造

Uses · 2 件

Found as an impurity in Disperse Violet 1 (CAS# 128-95-0), which is used as a hair dye; [ExPub: EC]

Dressing Hair [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing Information9,10-Anthracenedione, 1-amino-4-hydroxy-: ACTIVE

応用分野 · 1 件

使用The use of the inclusion complex of 1-amino-4-hydroxyanthraquinone (AHA) in the internal cavity of β-cyclodextrin confers increased sensitivity, selectivity and detection limit, and allows the determination of 10-70 ng ml-1 beryllium, compared to 60-500 ng ml-1 in the absence of the cyclodextrin.

調製方法 · 1 件

純化方法Purify it by TLC on SiO2 gel plates (0.75mm thick) using toluene/acetone (9:1) as eluent. The main band is scraped off and extracted with MeOH. The solvent is evaporated, and the dye is dried in a drying pistol [Land et al. J Chem Soc, Faraday Trans 1 72 2091 1976]. It has also been recrystallised from aqueous EtOH. [Beilstein 14 H 268, 14 I 503, 14 II 168, 14 III 652, 14 IV 891.]