ヒドロキシルアミン-O-スルホン酸
hydroxylamine-O-sulfonic acid
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基本情報
- CAS
2950-43-8- 標準SMILES
NOS(=O)(=O)O- InChIKey
DQPBABKTKYNPMH-UHFFFAOYSA-N- 分子式
- H3NO4S
- 平均分子量
- 113.1 g/mol
- 単同位体質量
- 112.97827875
名称と識別子
- 優先名称
- hydroxylamine-O-sulfonic acid
- IUPAC
- amino hydrogen sulfate
- 現地名
- ヒドロキシルアミン-O-スルホン酸
- 英語名
- Hydroxylamine-O-sulfonic acid
- 分子式
- H3NO4S
- 分子量
- 113.09
名称と別名
Hydroxylamine-O-sulfonic acid2950-43-8Sulfamic acid N-oxideSulfoperamidic acidPermonosulfamic acidAmidosulfonic peracidHAOSAmidoperoxymonosulfuric acidAminomonopersulfuric acidHydroxylamine-O-sulphonic acidHydroxylaminesulfonic acidSulfuric acid, monoazanyl ester
名称をさらに表示
ヒドロキシルアミン-O-スルホン酸(スルホオキシ)アミンO-スルホヒドロキシルアミンヒドロキシルアミンスルホン酸ヒドロキシルアミン‐O‐スルホン酸ヒドロキシルアンモニウム-O-スルホン酸HOSAHOSHydroxylaMine-0-sulfonic acidAmino hydrogen sulphateo-hydroxylammoniumsulfonateTBX5
YM8MWJ7XSPDTXSID50883542RefChem:147204DTXCID001023065220-971-6amino hydrogen sulfate(aminooxy)sulfonic acidMFCD00011604
データベース識別子
- CAS
2950-43-8- PubChem CID
- 76284
- DTXSID
DTXSID50883542- UNII
- YM8MWJ7XSP
- EC Number
- 220-971-6
- Nikkaji
- J208.587I
物性
構造計算による物性補完中
- XLogP
- -3.9
- 極性表面積
- 98 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 104
実験および物理化学的性質
Physical DescriptionBeige hygroscopic powder; [Aldrich MSDS] White hygroscopic solid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 210 °C · 210 °C (dec.)(lit.)
- 沸点
- 39 °C · 39 °C(Press: 0.4 Torr)
- 比重(密度)
- 2.2 g/cm3 · 2.2 g/cm3 (20℃)
- 蒸気圧
- 0 · 0-53.329Pa at 25-39℃
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 675 g/l · 675g/l（遅分解）
- 酸解離定数(Pka)
- -6.47 · -6.47±0.18(Predicted)
- 外見
- 結晶性粉末
- 色
- 白い
- PH
- 0.8 · 0.8 (100g/l, H2O, 20℃)
- 由来生物
- rabbit
- 水溶解度
- 溶ける
- BRN
- 956566 · 956566
- InChI
- 1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)
- InChIKey
- DQPBABKTKYNPMH-UHFFFAOYSA-N
- SMILES
- NOS(O)(=O)=O
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
Danger
H302 (70.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (67.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (69.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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: Hydroxylamine-O-sulfonic acid
Status: Active Update: 10-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12342；Status: Cease Manufacture Update: 17-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22751
Hydroxylamine-O-sulphonic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes burns; Inhalation can cause corrosive effects on the upper respiratory tract and lungs; [Aldrich MSDS] Causes burns; Inhalation can cause corrosive effects on the upper respiratory tract and lungs; May cause skin sensitization; [Alfa Aesar MSDS]
Hazard Classes and Categories
化学と産業
用途と製造
General Manufacturing InformationSulfuric acid, monoazanyl ester: ACTIVE
応用分野
使用Hydroxylamine-O-sulfonic acid is used in the synthesis of quinolones for the benzodiazepine site of GABAA receptors. It is also used as a polymerization catalyst and an amination reagent. It is involved in the preparation of diazene by reacting with an alkali. It is also used in the inhibition of polychlorinated dibenzo-p-dioxins (PCDD) as well as (polychlorinated biphenyl) PCB formation in co-combustion.
一般的な説明Hydroxylamine-O-sulfonic acid is a versatile synthetic reagent. It is widely employed as a nucleophile and as an electrophile in various organic syntheses. It can be synthesized by reacting hydroxylamine sulfate with 30% fuming H2SO4.
調製方法
純化方法Stir the solid vigorously with anhydrous Et2O and filter it off using large volumes of dry Et2O. Drain dry at the pump for 5minutes and then for 12-14hours in a vacuum. Store it in a vacuum desiccator over conc H2SO4. Determine the purity by oxidation of iodide to I2. It must be stored in a dry atmosphere at 0-4o. It decomposes slowly in H2O at 25o and more rapidly above this temperature. [Matsuguma & Andrieth Inorg Synth V 122 1957.]
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