基本情報
- 標準SMILES
O=C1OC2(c3cc(Br)c([O-])c(Br)c3Oc3c2cc(Br)c([O-])c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[Na+].[Na+]- InChIKey
OOYIOIOOWUGAHD-UHFFFAOYSA-L- 分子式
- C20H2Br4Cl4Na2O5
- 平均分子量
- 829.6 g/mol
- 単同位体質量
- 823.51852
名称と識別子
- 優先名称
- Acid Red 92
- IUPAC
- disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
- 現地名
- 食用 赤色 104号
- 英語名
- Acid Red 92
- 分子式
- C20H5Br4Cl4NaO5
- 分子量
- 809.66
名称と別名
名称をさらに表示
データベース識別子
- CAS
18472-87-2- PubChem CID
- 6433718
- DTXSID
DTXSID1031090- Nikkaji
- J4.465B
物性
構造計算による物性
- 極性表面積
- 81.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 0
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 780
実験および物理化学的性質
Physical Description
Liquid; Wet Solid; Other Solid
Brick red to brown solid; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 250 °C · >250°C
- 比重(密度)
- 0.871 · 0.871[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- Store at RT.
- 溶解性
- 100 g/リットル · 100g/リットル
- 外見
- 粉体・固形
- 色
- 赤茶色
- PH
- 9.7 · 9.7 (1g/l, H2O, 20℃)
- 水溶解度
- 1 mg/mL, · water: 1mg/mL, clear, red
- BRN
- 3887100 · 3887100
- 安定性
- 安定。強力な酸化剤とは相容れない。
- 主な用途
- 光導波路、カラーフィルター、リソグラフィー印刷版、表示装置、歯科用機器の可視化、インク、蛍光ペン、繊維、染毛剤、化粧品、歯垢の可視化、感染症の治療、抗腫瘍剤
- 化粧品成分の機能
- 着色剤ヘアカラーリング
- InChI
- 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2
- InChIKey
- OOYIOIOOWUGAHD-UHFFFAOYSA-L
- SMILES
- [Na+].[Na+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br
- LogP
- 0.165 at · 0.165 at 25℃
- CAS データベース
- 18472 · 18472-87-2(CAS DataBase Reference)
- EPAの化学物質情報
- Phloxine B (18472-87-2)
化学的性質
化学的特性red-brown powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 7.3% (17 of 234) of reports.
Warning
H319 (56.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H373 (31.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H412 (38%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264+P265, P273, P280, P305+P351+P338, P319, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 17 of 234 reports by companies.;There are 8 notifications provided by 217 of 234 reports by companies with hazard statement code(s).;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
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) 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)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402
Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes no skin and mild to moderate eye irritation in rabbits; Not a skin sensitizer in a local lymph node assay (LLNA) of mice; Mild maternal toxicity but no embryotoxicity or teratogenicity observed in rats at 250 mg/kg/day; [SCCS (Scientific Committee on Consumer Safety), Opinion on Acid Red 92, 27 March 2012] May cause irritation; [Sigma-Aldrich MSDS] See Rose Bengal.
法規制情報
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) 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)
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402
Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LM5900000
- 毒性
- LD50 orally in Rabbit: 2870 mg/kg
- hs_code
- 32041200
- risk_code
- 36
- 化審法
- (5)-1514
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Uses
Used as a histological and bacterial stain, and colorant for cosmetics, drugs, inks, lacquers, wool, nylon, jute, leather, silk, and acid dyeable acrylics; [Merck Index] Used in hair dye formulations; [SCCS (Scientific Committee on Consumer Safety), Opinion on Acid Red 92, 27 March 2012] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Pigments, Binders, and Biocides) [Category: Paint];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry];Dressing Hair [Category: Other]
応用分野
用途印刷インキ、化粧品原料。
使用Phloxine B acts as the sensitizers of dye-sensitized solar cells. Also, it is a fluorescein photoactive dye. Dyes and metabolites, Environmental Testing.
調製方法
製造方法the Resorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, get 3,4,5,6-Tetrachlorophthalic acid four bromination, and translated into sodium salt.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義本品は、平成15年厚労省令第126号に示される赤色104号の(1)又はそのアルミニウムレーキ又はそのバリウムレーキである。
関連反応
関連ノート
読み込み中…