基本情報
- CAS
15471-17-7- 標準SMILES
O=S(=O)([O-])CCC[n+]1ccccc1- InChIKey
REEBJQTUIJTGAL-UHFFFAOYSA-N- 分子式
- C8H11NO3S
- 平均分子量
- 201.25 g/mol
- 単同位体質量
- 201.04596439
概要
structure in first source
名称と識別子
- 優先名称
- 3-(1-Pyridinio)-1-propanesulfonate
- IUPAC
- 3-pyridin-1-ium-1-ylpropane-1-sulfonate
- 現地名
- 1-(3-スルホプロピル)ピリジニウムヒドロキシド分子内塩
- 英語名
- 3-(1-Pyridinio)-1-propanesulfonate
- 分子式
- C8H11NO3S
- 分子量
- 201.24
名称と別名
15471-17-73-(1-Pyridinio)-1-propanesulfonate1-Pyridiniumpropane-3-sulfonate1-(3-Sulphonatopropyl)pyridinium1-(3-Sulfopropyl)pyridinium hydroxide, inner saltPyridinium, 1-(3-sulfopropyl)-, inner saltQN4I6AI9EKNDBS cpdRefChem:436504239-491-33-(Pyridin-1-ium-1-yl)propane-1-sulfonateNDSB-201
名称をさらに表示
1-(3-スルホプロピル)ピリジニウムヒドロキシド分子内塩1-ピリジニウムプロパン-1-スルホナート3-ピリジニオプロパン-1-スルホナートピリジニウム-1-(プロパン-1-スルホナート)3-ピリジニオプロパン-1-スルホン酸アニオン1-(3-スルホナトプロピル)ピリジニウム1-(3-スルホプロピル)ピリジニウムヒドロキシド分子内塩 [生化学用]3-(1-ピリジノ)プロパンスルホン酸3-(1-ピリジニオ)-1-プロパンスルホナート3-(1-ピリジノ)-1-プロパンスルホン酸Pyridinium propyl sulfobetaineMDCCAIDEinecs 239-491-31-(3-sulfopropyl)pyridinePOWDEROFCHONDROITINSULFATEPyridiniumpropylsulphobetainePyridinium propylsulphobetain
3-pyridin-1-ium-1-ylpropane-1-sulfonate1-(3-sulfopropyl)pyridinium inner saltMFCD000644683-(1-Pyridino)-1-propane SulfonatePyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt1-(3-SULFOPROPYL)PYRIDINIUM BETAINE1-(3-Sulfopropyl)pyridinium hydroxide inner salt3-(1-Pyridinio)propanesulfonate
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 69.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 213
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
Physical Description
Other Solid
White hygroscopic crystals; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 275 · 275-277 °C
- 比重(密度)
- 1.53 · 1.53[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 闪点
- 160 °C · 160 °C
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- メタノール（微量）、水（微量）
- 外見
- 白い粉
- 色
- 白い
- 水溶解度
- 240.5 g/L · 240.5g/L at 25℃
- BRN
- 1621867 · 1621867
- InChI
- InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChIKey
- REEBJQTUIJTGAL-UHFFFAOYSA-N
- SMILES
- C1C=CC=C[N+]=1CCCS([O-])(=O)=O
- LogP
- -2.78 at · -2.78 at 21.5℃
- CAS データベース
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 88.1% (37 of 42) of all reports.
Warning
H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 6 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: Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
Pyridinium, 1-(3-sulfopropyl)-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridinium, 1-(3-sulfopropyl)-, inner salt 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: 1-(3-sulphonatopropyl)pyridinium (EC: 239-491-3)
Pyridinium, 1-(3-sulfopropyl)-, inner 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 SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (11.9%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- 化審法
- (5)-758, (5)-3704
- safety_code
- 26-24/25-22
化学と産業
用途と製造
Uses
Used to formulate metal surface treatment products (including those for galvanizing and electroplating), non-metal surface treatment products, processing aids (i.e. pH regulators, flocculants, and precipitants), laboratory chemicals, and flux coating/core welding and soldering products; [ExPub: ECHA REACH Registrations]
Welding [Category: Weld]
U.S. Production2023: <50,000 lb
Industry UsesPlating agent
General Manufacturing Information
Paint and Coating Manufacturing
Pyridinium, 1-(3-sulfopropyl)-, inner salt: ACTIVE
応用分野
説明3-(1-Pyridinio)-1-propanesulfonate is a white crystalline powder used to prepare electroplating additives.It has good thermal qualitative and chemical stability, and its mechanical strength is also very good. The low polymer molecular weight is prone to disproportionation and cross-linking reactions.
使用3-(1-Pyridinio)-1-propanesulfonate is a non detergent sulfobetaine used as a mild solubilizing and stabilizing agent for halophilic malate dehydrogenase, halophilic elongation factor Tu (hTu), pig heart malate dehydrogenase, chicken egg w hite lysozyme and E. coli beta-galactosidase. Preserves the antigenic conformation of serine protease gp76. Does not interfere with colorimetric assays using p-nitrophenylphosphate and o-nitrophenyl -b-D-galactopyranoside as substrates. Reduces aggregation and significantly improves protein renaturation. Zwitterionic over a wide pH range. Does not absorb significantly in the near-UV range. Ca n be easily removed by dialysis.
使用3-(1-Pyridinio)-1-propanesulfonate can be used:As a Bronsted acid ionic liquid catalyst in combination with H2SO4 and H3PO4 for the dehydration of glycerol to acrolein via semi-batch reaction technique.As a catalyst in the form of sulfonated heteropoly acid salts for the synthesis of isoamyl isovalerate.In the preparation of molybdenum imido alkylidene NHC catalysts, which are used in biphasic olefin metathesis.To prepare water-stable SO3H-functionalized Brnsted acidic task-specific ionic liquids (TSILs).
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…