1,5-Diaminoanthraquinone (HCID 8513)

名称と識別子

優先名称: 1,5-Diaminoanthraquinone
IUPAC: 1,5-diaminoanthracene-9,10-dione
現地名: 1,5-ジアミノアントラキノン
英語名: 1,5-Diaminoanthraquinone
分子式: C14H10N2O2
分子量: 238.24

名称と別名

1,5-DIAMINOANTHRAQUINONE129-44-2Smoke Red F9,10-Anthracenedione, 1,5-diamino-C.I. Disperse Red II1,5-Diaminoanthrachinon1,5-Anthraquinonyldiamine1,5-Diamino-9,10-anthraquinone1,5-DaaAnthraquinone, 1,5-diamino-NSC-72133ZXX3HK358

名称をさらに表示

1,5-ジアミノアントラキノン1,5-ジアミノアントラセン-9,10-ジオン1,5-ジアミノアントラキノン, 97%92.0%(N)smokeredfTIMTEC-BB SBB0007691,5-DIAMINOATHRAQUINONE,5-DIAMINOANTHRAQUINONE1,5-diamino-anthraquinon

NSC-63791NSC-507213RefChem:417178204-947-21,5-diaminoanthracene-9,10-dioneNSC 7213MFCD00001226NSC 63791

データベース識別子

CAS: 129-44-2
PubChem CID: 8513
DTXSID: DTXSID1059602
ChEMBL: CHEMBL90387
UNII: 3ZXX3HK358
EC Number: 204-947-2
Nikkaji: J2.267.365C、J3.625K

物性

構造計算による物性

XLogP: 2.6
極性表面積: 86.2 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: 346

実験および物理化学的性質

Physical DescriptionRed odorless powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 300 °C · >300 °C (lit.)
沸点: 380.84 °C · 380.84°C (rough estimate)
比重(密度): 1.1907 · 1.1907 (rough estimate)
屈折率: 1.65 · 1.6500 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystaline
酸解離定数(Pka): -0.66 · -0.66±0.20(Predicted)
色: Orange to Brown to Dark red
水溶解度: 水に不溶。
InChI: InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
InChIKey: VWBVCOPVKXNMMZ-UHFFFAOYSA-N
SMILES: C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3N)=CC=C1
CAS データベース: 129 · 129-44-2(CAS DataBase Reference)
EPAの化学物質情報: 9 · 9,10-Anthracenedione, 1,5-diamino- (129-44-2)

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 (97.7%): 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 43 reports by companies from 6 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

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-

Hazards SummaryA mild eye irritant; Causes liver, cardiac, and renal tubular changes in 10-day oral studies of rats; [RTECS] May cause eye irritation; [Alfa Aesar MSDS] See 1-Amino-2-methylanthraquinone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

法規制情報

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-

安全データ

wgk: 3
tsca: TSCA listed
rtecs: CB6400000
hs_code: 29147000
risk_code: 36/37/38
化審法: (4)-710
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information9,10-Anthracenedione, 1,5-diamino-: ACTIVE

応用分野 · 2 件

使用1,5-Diaminoanthraquinone (DAAQ) may be used in the preparation of vertical nanowire arrays. It may be used in the synthesis of poly(1,5-diaminoanthraquinone) (PDAA) particles, via chemically oxidative polymerization of DAAQ.

一般的な説明1,5-Diaminoanthraquinone (DAAQ) is an organic dye compound. Rapid preparation of 1,5-diaminoanthraquinone nanofibers (DAAQNFs) decorated with small platinum nanoparticles (PtNPs) has been reported. The absorption and fluorescence spectra of DAAQ has been investigated in various organic solvents. Preparation of vertical organic nanowire arrays of DAAQ on solid substrates by a facile physical vapor transport method has been reported.

調製方法

純化方法Recrystallise it from aniline (m 313-314o) EtOH or acetic acid [Flom & Barbara J Phys Chem 89 4481 1985]. [Beilstein 14 H 303, 14 I 467, 14 II 116, 14 III 466, 14 IV 479.]

上流・下流製品情報

上流原料

硫化ナトリウム 1,5-ジニトロ-9,10-アントラセンジオンアントラキノン

下流製品

C.I.バットオレンジ11:1

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

1,5-ジアミノアントラキノン

基本情報