2-スルホベンズアルデヒドナトリウム
Sodium o-formylbenzenesulfonate
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
1008-72-6- 標準SMILES
O=Cc1ccccc1S(=O)(=O)[O-].[Na+]- InChIKey
ADPUQRRLAAPXGT-UHFFFAOYSA-M- 分子式
- C7H5NaO4S
- 平均分子量
- 208.17 g/mol
- 単同位体質量
- 207.98062409
名称と識別子
- 優先名称
- Sodium o-formylbenzenesulfonate
- IUPAC
- sodium 2-formylbenzenesulfonate
- 現地名
- 2-スルホベンズアルデヒドナトリウム
- 英語名
- 2-Formylbenzenesulfonic acid sodium salt
- 分子式
- C7H5NaO4S
- 分子量
- 208.17
名称と別名
Sodium 2-formylbenzenesulfonate2-Formylbenzenesulfonic acid sodium saltSodium o-formylbenzenesulfonateBenzenesulfonic acid, 2-formyl-, sodium saltSodium benzaldehyde-2-sulfonate2-Sulfobenzaldehyde, sodium saltBenzenesulfonic acid, 2-formyl-, sodium salt (1:1)Sodium o-benzaldehyde sulfonateDTXSID5041643o-Formylbenzenesulfonic acid sodium saltBenzaldehyde-2-sulfonic acid sodium saltBenzaldehyde-o-sulfonic acid sodium salt
名称をさらに表示
2-スルホベンズアルデヒドナトリウムo-スルホベンズアルデヒド2-ナトリウムo-ベンズアルデヒドスルホン酸ナトリウム2-ホルミルベンゼンスルホン酸ナトリウム2-(ソジオオキシスルホニル)ベンズアルデヒドo-ホルミルベンゼンスルホン酸ナトリウム2-ホルミルベンゼン-1-スルホン酸ナトリウムベンズアルデヒド-2-スルホン酸ナトリウムO-スルホベンズアルデヒドナトリウムｏホルミルベンゼンスルホン酸ナトリウムナトリウム＝2-ホルミルベンゼンスルホナート2‐ホルミルベンゼンスルホン酸ナトリウムO‐ホルミルベンゼンスルホン酸ナトリウム2-ホルミルベンゼンスルホン酸ナトリウム塩2-ホルミルベンゼンスルホン酸ナトリウム標準品2-ホルミルベンゼンスルホン酸 ナトリウム塩2-SULFOBENZALDEHYDE SODIUM SALT2-formylbenzenesulfonate2-Formylbenzenesulfonic Acid Sodium2-SuLOSAD-NAfobenzaLdehyde Sodium SaL2-FormylbenzenesulfoO-benzaldehyde sulfonate
データベース識別子
- CAS
1008-72-6- PubChem CID
- 3794540
- DTXSID
DTXSID5041643- ChEMBL
CHEMBL3182431- UNII
- LH8XH59068
- EC Number
- 213-758-4
- Nikkaji
- J168.593G
物性
構造計算による物性補完中
- 極性表面積
- 82.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 256
実験および物理化学的性質
Physical Description
Dry Powder; Other Solid
Light beige crystalline powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 300 °C · >300°C
- 沸点
- 562.39 ℃[at · 562.39℃[at 101 325 Pa]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- 2 O：可溶1g/10mL、無色透明～微黄褐色 · H2O：可溶1g/10mL、無色透明～微黄褐色
- 外見
- 粉
- 色
- 白色～淡黄色
- 水溶解度
- 1000 g/L · 1000g/L at 25℃
- BRN
- 4040884 · 4040884
- 安定性
- 安定。空気に敏感。強力な酸化剤とは相容れない。
- InChI
- InChI=1S/C7H6O4S.Na/c8-5-6-3-1-2-4-7(6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1
- InChIKey
- ADPUQRRLAAPXGT-UHFFFAOYSA-M
- SMILES
- C1(C=O)C=CC=CC=1S([O-])(=O)=O.[Na+]
- LogP
- -3.23 at · -3.23 at 25℃
- CAS データベース
- 1008 · 1008-72-6(CAS DataBase Reference)
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 97.3% (180 of 185) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 180 of 185 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 180 of 185 reports by companies.；There are 4 notifications provided by 5 of 185 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: Benzenesulfonic acid, 2-formyl-, sodium salt
Benzenesulfonic acid, 2-formyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-formyl-, sodium salt (1:1) 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: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18320
Benzenesulfonic acid, 2-formyl-, sodium salt: 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 SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
法規制情報
化学と産業
用途と製造
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 100,000 - <250,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 2,500,000 - <4,000,000 lb；2020: 1,000,000 - <2,500,000 lb
Industry UsesDye
General Manufacturing Information
Food, beverage, and tobacco product manufacturing
Benzenesulfonic acid, 2-formyl-, sodium salt (1:1): ACTIVE
応用分野
用途種々のトリフェニルメタン系色素の合成原料とする。
説明2-Formylbenzenesulfonic acid sodium salt (Sodium o-sulfonate benzaldehyde) is the primary intermediate for synthesizing fluorescent whitening agent CBS, triphenylmethane dye, and moth-repellent N. Fluorescent whitening agent CBS is a new fluorescent whitening agent. It has excellent resistance to chlorine bleaching, acid and alkali resistance, and sunlight resistance. It is an ideal additive for light, textile, and daily chemical industries, mainly used in washing powders, laundry pastes, soaps, toilet soaps, and liquid detergents. Improve the performance of the product, improve the intrinsic quality and appearance quality of the product. Industrially, 2-Formylbenzenesulfonic acid sodium salt is usually obtained by sulfonating sodium sulfite in water with o-chlorobenzaldehyde as the raw material and potassium iodide as the catalyst. The catalyst can be potassium iodide, sodium iodide, and other inorganic substances containing iodide ions.
使用2-Formylbenzenesulfonic acid sodium salt was used as precursor to test the ability of fungal strains for transformation of phenolic and non-phenolic precursors into stable and non-toxic dyes.
一般的な説明2-Formylbenzenesulfonic acid sodium salt reacts with chitosan in the presence of sodium cyanoborohydride to yield N-benzyl derivatives.
調製方法
関連反応
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