2-(クロロメチル)アントラキノン

2-(Chloromethyl)anthraquinone

HCID 344311

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6374-87-4
標準SMILES: O=C1c2ccccc2C(=O)c2cc(CCl)ccc21
InChIKey: NVUYDKYMEMGYFP-UHFFFAOYSA-N
分子式: C15H9ClO2
平均分子量: 256.68 g/mol
単同位体質量: 256.0291072

名称と識別子

優先名称: 2-(Chloromethyl)anthraquinone
IUPAC: 2-(chloromethyl)anthracene-9,10-dione
現地名: 2-(クロロメチル)アントラキノン
英語名: 2-(Chloromethyl)anthraquinone
分子式: C15H9ClO2
分子量: 256.68

名称と別名

2-(Chloromethyl)anthraquinone6374-87-4DTXSID00322395RefChem:460354DTXCID40273514624-149-12-(chloromethyl)anthracene-9,10-dioneAnthraquinone, 2-(chloromethyl)-2-Chloromethyl-anthraquinone2-(chloromethyl)-9,10-dihydroanthracene-9,10-dioneSCHEMBL7076849,10-Anthracenedione, 2-(chloromethyl)-

名称をさらに表示

2-(クロロメチル)アントラキノン2-(Chloromethyl)anthraquinone 98%

MFCD002166122-chloromethylanthraquinoneBCP243632-chloromethyl anthraquinoneCHEMBL21780AKOS0159122-(Chloromethyl)anthraquinone, 98%AKOS015912628

データベース識別子

CAS: 6374-87-4
PubChem CID: 344311
DTXSID: DTXSID00322395
ChEMBL: CHEMBL21780
EC Number: 624-149-1
Nikkaji: J2.579.667E

物性

構造計算による物性

XLogP: 4
極性表面積: 34.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 366

物理化学的性質

融点: 166 · 166-169 °C (lit.)
外見: solid
BRN: 1975355 · 1975355
InChI: 1S/C15H9ClO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
InChIKey: NVUYDKYMEMGYFP-UHFFFAOYSA-N
SMILES: ClCc1ccc2C(=O)c3ccccc3C(=O)c2c1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 Corr. 1B (100%)

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2914790090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用2-(Chloromethyl)anthraquinone may be used in the following processes: Synthesis of 2-[methylamino-N-(1′-methyl-4′-N,N-diethylaminobutyl)]anthraquinone diphosphate. Synthesis of 2-(3,4-dicyano-phenyl)-2-(9,10-dioxo-9,10-dihydroantracen-2-yl-methyl)-malonic acid diethyl ester, starting reagent for the synthesis of tetra substituted metallophthalocyanines.To alter the glassy carbon (GC) electrode surface in order to investigate the oxygen reduction reaction (ORR) in alkaline medium.

一般的な説明2-(Chloromethyl)anthraquinone is an anthraquinone derivative. It was utilized as a substrate to synthesize Cibanone yellow R, a vat dye. Its electrochemical behavior has been studied over a wide pH range.