2,3-ジヒドロ-1,4,5,8-テトラヒドロキシ-9,10-アントラセンジオン

9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-

HCID 66485CAS 81-59-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1CCC(=O)c2c1c(O)c1c(O)ccc(O)c1c2O
InChIKey: QJQPINQAQJTYMH-UHFFFAOYSA-N
分子式: C14H10O6
平均分子量: 274.22 g/mol
単同位体質量: 274.04773803

名称と識別子

優先名称: 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-
IUPAC: 5,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione
現地名: 2,3-ジヒドロ-1,4,5,8-テトラヒドロキシ-9,10-アントラセンジオン
英語名: 2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone
分子式: C14H10O6
分子量: 274.23

名称と別名

81-59-42,3-dihydro-1,4,5,8-tetrahydroxy-9,10-anthracenedione9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-EINECS 201-364-5NSC 23122DTXSID00588511,4,5,8-Tetrahydroxyanthraquinone, leucoderivative1,4,5,8-Tetrahydroxyanthraquinone, leuco derivative9,10-Athracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-RefChem:548710DTXCID90481985,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione

名称をさらに表示

2,3-ジヒドロ-1,4,5,8-テトラヒドロキシ-9,10-アントラセンジオン1,4,5,8-テトラヒドロキシ-2,3,9,10-テトラヒドロアントラセン-9,10-ジオンMitoxantrone Impurity 3Mitoxantrone Impurity 72,3-Dihydro-1,4,5,8-tetrahydroxyanthrachinon2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone

1,4,5,8-TETRAHYDROXY-2,3-DIHYDROANTHRACENE-9,10-DIONE5,8-DihydroxyleucoquinizarinMFCD231600181,4,5,8-tetrahydroxy-2,3,9,10-tetrahydroanthracene-9,10-dione1,4,5,8-Tetrahydroxy-2,3-dihydro-9,10-anthracenedione; NSC 23122NSC23122Mitoxantrone Impurity N1Leucotetrahydroxyanthraquinone

データベース識別子

CAS: 81-59-4
PubChem CID: 66485
EC Number: 201-364-5
Nikkaji: J192.589J

物性

構造計算による物性

XLogP: 2
極性表面積: 115 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 20
形式電荷: 0
複雑度: 395

物理化学的性質

沸点: 543.8 · 543.8±50.0 °C(Predicted)
比重(密度): 1.79 · 1.79±0.1 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: DMSO（ごくわずか、加熱）
酸解離定数(Pka): 4.2 · 4.20±1.00(Predicted)
外見: 個体
色: ダークブラウンからブラック
EPAの化学物質情報: 9 · 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy- (81-59-4)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-: INACTIVE

応用分野

使用5,8-Dihydroxyleucoquinizarin is a reactant used in the preparation of chloroethylaminoethylaminoanthraquinones with potent cytotoxicity against cisplatin-resistant tumor cells.