1,4-ジアミノアントラキノン
Disperse Violet 1
基本情報
- CAS
128-95-0- 標準SMILES
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
FBMQNRKSAWNXBT-UHFFFAOYSA-N- 分子式
- C14H10N2O2
- 平均分子量
- 238.24 g/mol
- 単同位体質量
- 238.07422757
名称と識別子
- 優先名称
- Disperse Violet 1
- IUPAC
- 1,4-diaminoanthracene-9,10-dione
- 現地名
- 1,4-ジアミノアントラキノン
- 英語名
- 1,4-Diamino anthraquinone
- 分子式
- C14H10N2O2
- 分子量
- 238.24
名称と別名
1,4-Diaminoanthraquinone128-95-0Disperse violet 1KrisolamineAcetate Red Violet ROracet Violet 2RCibacet Violet 2R9,10-Anthracenedione, 1,4-diamino-Grasol Violet RSeacyl Violet RSetacyl Violet RDisperse Violet K
名称をさらに表示
1,4-ジアミノアントラキノンディスパースバイオレット1C.I.ディスパースバイオレット11,4-ジアミノ-9,10-アントラセンジオン1,4-ジアミノ-9,10-アントラキノンロイコ-1,4-ジアミノアントラキノンC.I.ソルベントバイオレット111,4-ジアミノアントラセン-9,10-ジオン１，４ジアミノアントラキノン分散紫11,4‐ジアミノアントラキノンディスパースバイオレット1標準品1,4-diaminoanthracene-9,10-dioneCI 611001,4-diamino-9,10-anthracenedioneNSC 7833NSC 63807oilvioletrViolet ER
C.I. Disperse Violet 1Gracet Violet 2RResiren Violet TRSetile Violet 3RAmacel heliotrope RDuranol Violet 2RNacelan Violet 4RDispersive Violet K
データベース識別子
- CAS
128-95-0、71775-54-7- PubChem CID
- 31420
- DTXSID
DTXSID2041252- ChEMBL
CHEMBL86771- UNII
- N21HDQ0TKN
- EC Number
- 204-922-6、615-398-7
- Nikkaji
- J3.264F、J710.752H
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 86.2 Ų
- 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
Chemical Classes
Dyes -> Anthraquinone Dyes
Dye
Cosmetics
Cosmetic ingredients (Disperse Violet 1) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
SpringerMaterials PropertiesBoiling point
LogP3.0
Physical DescriptionDark violet solid; [EC: SCCS (Scientific Committee on Consumer Safety), Opinion on Disperse Violet 1, 22 June 2010] Black powder; [Alfa Aesar MSDS]
Collision Cross Section147.5 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041252]
物理化学的性質
- 融点
- 265 · 265-269 °C(lit.)
- 沸点
- 380.84 °C · 380.84°C (rough estimate)
- 比重(密度)
- 1.44 g/cm3 · 1.44 g/cm3 (20℃)
- 蒸気圧
- 1 hPa · <1 hPa (25 °C)
- 屈折率
- 1.65 · 1.6500 (estimate)
- 闪点
- 340 °C · 340 °C
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 21.4% (31 of 145) of reports.
Danger
H301 (62.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,4-diamino-
9,10-Anthracenedione, 1,4-diamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
In a patch test study of 104 human female volunteers, 1 to 3 subjects exhibited skin sensitization; Another study of 98 human female volunteers produced 1 subject with a possible sensitization reaction; Causes mild eye irritation in experimental animals at a concentration of 1% in water; A skin sensitizer in a local lymph node assay of mice; No evidence of photo-allergy in a study of guinea pigs; No adverse effects observed in 13-week feeding study of rats at 500 ppm in the diet; Diffuse midzonal/centrilobular liver hypertrophy and increased cholesterol levels observed in males at 20 mg/kg/day in 90-day oral study of rats; [EC: Scientific Committee on Consumer Safety, Opinion on Disperse Violet 1, 22 June 2010] An eye irritant; Risk of irreversible adverse health effects; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (62.8%)
毒性情報
化学と産業
用途と製造
Uses
CIR ingredient: Disperse Violet 1
Used as a hair dye; [EC: Scientific Committee on Consumer Safety, Opinion on Disperse Violet 1, 22 June 2010]
Dressing Hair [Category: Other]
Household ProductsInformation on 8 consumer products that contain C.I. Disperse violet 1 in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information9,10-Anthracenedione, 1,4-diamino-: ACTIVE
応用分野
用途合成繊維用の染料として用いられる。
用途有機合成(染料等)原料。
使用As an anthraquinone derivative, 1,4-Diamino anthraquinone is a potent and selective protein kinase CK1 delta inhibitor. Studies suggest that it has potential solar cell applications. 1,4-Diamino anthraquinone can be used in studies as a potential competitive non-peptidic inhibitor of HIV-1 proteinase.
調製方法
純化方法Purify the anthraquinone by thin-layer chromatography on silica gel using toluene/acetone (9:1) as eluent. The main band is scraped off and extracted with MeOH. The solvent is evaporated, and the quinone is dried in a drying pistol [Land et al. J Chem Soc, Faraday Trans 1 72 2091 1976]. It crystallises from EtOH (m 269o) in dark violet crystals. Store it in sealed ampoules in the dark. [Beilstein 14 H 197, 14 II 113, 14 III 437, 14 IV 458.]
上流・下流製品情報
上流原料
関連反応
18 件
化合物ノート
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