2-Chloroanthraquinone (HCID 8553)

名称と識別子

優先名称: 2-Chloroanthraquinone
IUPAC: 2-chloroanthracene-9,10-dione
現地名: 2-クロロアントラキノン
英語名: 2-Chloroanthraquinone
分子式: C14H7ClO2
分子量: 242.66

名称と別名

2-CHLOROANTHRAQUINONE131-09-99,10-Anthracenedione, 2-chloro-2-Chloro-9,10-anthraquinonebeta-Chloroanthraquinone2-Chloro-9,10-anthracenedioneDTXSID7049213.beta.-ChloroanthraquinoneAI3-00064NSC 1702EINECS 205-010-02-Chloroanthra-9,10-quinone

名称をさらに表示

2-クロロアントラキノン2-クロロ-9,10-アントラキノン2-クロロ-9,10-アントラセンジオン2クロロアントラキノン2-クロロアンスラキノン2-クロロアントラセン-9,10-ジオン2-CHLOROANTHRACENE-9,10-DIONENSC1702NSC-17022-chloro-92-CHLORO AQ'LGC' (2408)10-Anthracenedione2-Chloranthrachinon

DTXCID9029069betaChloroanthraquinoneAnthraquinone, 2chloroRefChem:864492Chloro9,10anthraquinone2Chloro9,10anthracenedione9,10Anthracenedione, 2chloro205-010-0

データベース識別子

CAS: 131-09-9
PubChem CID: 8553
DTXSID: DTXSID7049213
ChEMBL: CHEMBL3186676
UNII: 5ZD4DU5A9G
EC Number: 205-010-0
Nikkaji: J1.511C

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: 0
重原子数: 17
形式電荷: 0
複雑度: 352

実験および物理化学的性質

Physical DescriptionGrey or green powder; [Alfa Aesar MSDS]

Kovats Retention Index · 2 件

2116.8

353；355.88；356；356.47

物理化学的性質

融点: 209 · 209-211 °C (lit.)
沸点: 345.65 °C · 345.65°C (rough estimate)
比重(密度): 1.2377 · 1.2377 (rough estimate)
屈折率: 1.538 · 1.5380 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Light orange to Yellow
水溶解度: 不溶性
BRN: 2051842 · 2051842
Henry's Law Constant: 4.2 · 4.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey: FPKCTSIVDAWGFA-UHFFFAOYSA-N
SMILES: C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Cl
CAS データベース: 131 · 131-09-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Chloroanthraquinone(131-09-9)
EPAの化学物質情報: 9 · 9,10-Anthracenedione, 2-chloro- (131-09-9)

化学的性質

化学的特性Pale yellow needle crystal. Insoluble in water, soluble in hot benzene, nitrobenzene, concentrated sulfuric acid.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (15.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (15.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (15.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 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 Information · 2 件

Chemical: 9,10-Anthracenedione, 2-chloro-

2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Not irritating to skin or eyes of rabbits; A skin sensitizer in guinea pigs; [IUCLID] Causes impaired liver function tests, kidney changes, and erythrocyte count changes in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (98.1%)；Eye Irrit. 2 (82.7%)；STOT SE 3 (80.8%)

毒性情報

Adverse Effects · 1 件

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

法規制情報

Regulatory Information · 2 件

Chemical: 9,10-Anthracenedione, 2-chloro-

2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10
wgk: 1
tsca: TSCA listed
rtecs: CB6151000
hs_code: 29147090
risk_code: 36/37/38-43-36/37
化審法: (4)-688
hazard_code: Xi
safety_code: 26-36-37/39-24
Hazard Classifications: Skin Sens. 1
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, 2-chloro-: ACTIVE

応用分野 · 1 件

使用2-Chloroanthraquinone is an important dye intermediate that can be used to make alizarin and aminoanthraquinone. This product has been evaluated as a photo-reagent for the analysis of ginsenosides using photoreduction fluorescence (PRF) detection method.

調製方法

製造方法2-Chloroanthraquinone is prepared by condensing phthalic anhydride and chlorobenzene into p-chlorobenzoylbenzoic acid, and then cyclizing it with sulfuric acid.