基本情報
- CAS
84-51-5- 標準SMILES
CCc1ccc2c(c1)C(=O)c1ccccc1C2=O- InChIKey
SJEBAWHUJDUKQK-UHFFFAOYSA-N- 分子式
- C16H12O2
- 平均分子量
- 236.26 g/mol
- 単同位体質量
- 236.08372962
概要
2-ethylanthraquinone has been reported in Streptomyces with data available.
名称と識別子
- 優先名称
- 2-Ethylanthraquinone
- IUPAC
- 2-ethylanthracene-9,10-dione
- 現地名
- 2-エチルアントラキノン
- 英語名
- 2-Ethylanthraquinone
- 分子式
- C16H12O2
- 分子量
- 236.27
名称と別名
2-Ethylanthraquinone84-51-52-Ethyl-9,10-anthraquinone9,10-Anthracenedione, 2-ethyl-Anthraquinone, 2-ethyl-USAF SO-1beta-EthylanthraquinoneDTXSID504499459YJ81QZKDEINECS 201-535-4BRN 19698732Ethylantrachinon
名称をさらに表示
2-エチルアントラキノン2-エチルアントラセン-9,10-ジオン2-エチル-9,10-アントラセンジオン2-エチル-9,10-アントラキノン2エチルアントラキノン2-エチル-9,10-ジヒドロアントラセン-9,10-ジオン2-EAQEthylanthraquinone2-Ethylanthracene-9,10-dionePhotoinitiator-2-EAQ2-ETHYL ANTHROQUINONE2-Ethya Anthraquinoneusafso-1
AI3-176142EthylanthrachinonNSC 7216.BETA.-ETHYLANTHRAQUINONENSC-7216EC 201-535-42Ethyl9,10anthracenedione4-07-00-02583 (Beilstein Handbook Reference)
データベース識別子
- CAS
84-51-5- PubChem CID
- 6772
- DTXSID
DTXSID5044994
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 34.1 Ų
- 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
- 360
実験および物理化学的性質
Chemical ClassesDyes -> Anthraquinone Dyes
LogP4.37
Vapor Pressure0.00000102 [mmHg]
Physical Description
Dry Powder; CBI
Yellow microcrystalline powder; [Acros Organics MSDS]
物理化学的性質
- 融点
- 108 · 108-111 °C (lit.)
- 沸点
- 180 · 180-190°C
- 比重(密度)
- 1.27 g/cm3 · 1.27 g/cm3 (21℃)
- 蒸気圧
- 1 hPa · <1 hPa (25 °C)
- 屈折率
- 1.629 · 1.6290 (estimate)
- 闪点
- 210 °C · >210°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.00025 g/l · 0.00025g/l
- 外見
- powder to crystal
- 色
- Light yellow to Amber to Dark green
- 水溶解度
- 水に不溶。
- BRN
- 1969873 · 1969873
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 10.7% (14 of 131) of reports.
Danger
H350 (26%): May cause cancer [Danger Carcinogenicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 9,10-Anthracenedione, 2-ethyl-
9,10-Anthracenedione, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-ethylanthraquinone (EC: 201-535-4)
9,10-Anthracenedione, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Prolonged or repeated oral exposure may cause damage to the hematological system and spleen; [ECHA REACH Registrations] Not a skin or eye irritant in rabbits; No mortalities in rats exposed to saturated atmosphere at 20 degrees C for 8 hours; [IUCLID] A 28-day oral study of rats produced decreased erythrocyte and hematocrit values, hemosiderosis in the spleen, and extramedullary hematopoiesis with NOEL's of less than 10 mg/kg/day for males and 10 mg/kg/day for females; [JECDB] May cause irritation; [Acros Organics MSDS] See 1-Amino-2-methylanthraquinone.
Hazard Classes and CategoriesCarc. 1B (26%)
安全データ
- wgk
- 1
- tsca
化学と産業
用途と製造
Uses
Used in the chemical and paints-lacquers-varnishes industries; Used as a coloring agent, intermediate, and process regulator; [IUCLID] Used as a reactive processing aid in hydrogen peroxide production; [ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesCBI
General Manufacturing Information
CBI
9,10-Anthracenedione, 2-ethyl-: ACTIVE
応用分野
用途有機合成原料。
使用Synthesis, especially of hydrogen peroxide.
上流・下流製品情報
上流原料
関連反応
4 件
化合物ノート
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