sodium pentane-1-sulfonate | 22767-49-3

• 物质功能分类: 表面活性剂 - 阴离子表面活性剂 - 磺酸盐型
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: sodium pentane-1-sulfonate
• 英文别名: sodium 1-pentanesulfonate；1-Pentanesulfonic acid,sodium salt；sodium;pentane-1-sulfonate
• CAS: 22767-49-3
• 化学式: C₅H₁₁O₃S*Na
• 分子量: 174.196
• InChiKey: ROBLTDOHDSGGDT-UHFFFAOYSA-M

物化性质

• 熔点：
  300 °C
• 密度：
  1.018
• 溶解度：
  20°C时在水中的溶解度为0.5M，无色，澄清
• 最大波长(λmax)：
  λ: 210 nm Amax: 0.06λ: 220 nm Amax: 0.04λ: 230 nm Amax: 0.03λ: 260 nm Amax: 0.01λ: 500 nm Amax: 0.01
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.27
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S28,S36/37/39,S37/39
• 危险类别码：
  R36/38
• WGK Germany：
  3
• 海关编码：
  29041000
• 危险品运输编号：
  NONH for all modes of transport
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保持贮藏器密封，并将其放入一个紧密封装的容器中。建议储存在阴凉、干燥的地方。

SDS

Name:	1-Pentanesulfonic Acid Sodium Salt Material Safety Data Sheet
Synonym:	Sodium pentylsulfonate
CAS:	22767-49-3

Section 1 - Chemical Product MSDS Name:1-Pentanesulfonic Acid Sodium Salt Material Safety Data Sheet
Synonym:Sodium pentylsulfonate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22767-49-3	1-Pentanesulfonic acid, sodium salt	100	245-208-4

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
May cause skin irritation. Prolonged and/or repeated contact may cause defatting of the skin and dermatitis.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22767-49-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: odorless
pH: Not available.
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: C5H11O3SNa
Molecular Weight: 174.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, sodium oxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22767-49-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Pentanesulfonic acid, sodium salt - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 22767-49-3: No information available.
Canada
CAS# 22767-49-3 is listed on Canada's DSL List.
CAS# 22767-49-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22767-49-3 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：

• 表面活性剂，适用于研究多重乳状液及离子对色谱。
• 离子对试剂，可用于分析多肽和蛋白质以及作为表面活性剂。
• 离子缔合试剂，用于高效液相色谱法，特别适用于肽和蛋白质的分析。

反应信息

• 作为反应物：
  描述：

  sodium pentane-1-sulfonate 在 三聚氯氰 、 18-冠醚-6 作用下， 以 丙酮 为溶剂， 反应 20.0h， 以70%的产率得到戊烷-1-磺酰氯
  参考文献：
  名称：

  一种新的温和的磺酰氯制剂

  摘要：

  开发了一种新方法，以2,4,6-三氯-1,3,5-三嗪为氯化剂，在中性条件下由磺酸制备磺酰氯。

  DOI：

  10.1016/s0040-4039(02)02853-8
• 作为产物：
  描述：

  1-氯戊烷 在 铜 、 sodium sulfite 作用下， 以 乙醇 、 水 为溶剂， 反应 40.0h， 以61.4%的产率得到sodium pentane-1-sulfonate
  参考文献：
  名称：

  Preparation of Sodium Sulfonates Using by Copper as Catalyst

  摘要：

  通过斯特雷克反应制备了钠烷基磺酸盐。研究了从二氯乙烷和亚硫酸钠合成氯乙基磺酸钠的不同催化剂，发现铜是一种高效的催化剂，产率为81%。反应条件也经过优化，使该路线在大规模工业生产中更具竞争力和适用性。此外，还通过斯特雷克反应在铜催化下获得了一些其他的磺酸盐。

  DOI：

  10.14233/ajchem.2014.16579

文献信息

• Reduction of Sulfonic Acids and Related Organosulfur Compounds with Triphenylphosphine–Iodine System
  作者：Shigeru Oae、Hideo Togo

  DOI：10.1246/bcsj.56.3802

  日期：1983.12

  excess iodine, however, these aliphatic sulfur compounds are converted eventually to the corresponding alkyl iodides. The relative reactivities of these sulfonyl derivatives in the reaction with the triphenylphosphine–iodine system are the following. Aromatic series: ArSO2Cl, ArSO2SAr′>ArSO2H>ArSO3R>ArSO3−HNBu3+ (or PyH+)>ArSO3H>ArSO2SO2Ar>>ArSO2CH2C(CH3)3, ArSO3Ar′. Aliphatic series: RSO2Cl, RSO2SR′,

  通过用三苯基膦和催化量的碘的混合物处理，芳烃磺酸、它们的钠盐和烷基芳烃磺酸盐可以很容易地还原成相应的芳烃硫醇，而烷烃磺酸、亚磺酸、二硫化物、硫代磺酸测试剂和磺酸盐也很容易类似地还原为相应的硫醇。然而，在用三苯基膦和过量碘的混合物处理后，这些脂肪族硫化合物最终转化为相应的烷基碘。这些磺酰基衍生物在与三苯基膦-碘体系反应中的相对反应性如下。芳族系列​​：ArSO2Cl、ArSO2SAr′>ArSO2H>ArSO3R>ArSO3−HNBu3+（或PyH+）>ArSO3H>ArSO2SO2Ar>>ArSO2CH2C(CH3)3、ArSO3Ar′。脂肪族系列：RSO2Cl、RSO2SR'、RSO2-HNBu3+>RSO3-HNBu3+>RSSR，RSO2H>RSO3H>RSH>RSO3R'。在这些反应中，带有供电子取代基的芳烃磺酸比具有供电子取代基的芳烃磺酸更容易被还原。
• Facile one-pot synthesis of sulfonyl fluorides from sulfonates or sulfonic acids
  作者：Ying Jiang、Njud S. Alharbi、Bing Sun、Hua-Li Qin

  DOI：10.1039/c9ra02531f

  日期：——

  abundant and inexpensive sulfonates (or sulfonic acids) to the highly valuable sulfonyl fluorides was developed. This new protocol features mild reaction conditions using readily available and easy-to-operate reagents. A diverse set of sulfonyl fluorides was prepared facilitating the enrichment of the sulfonyl fluoride library.

  开发了一种简便的级联工艺，可将丰富且廉价的磺酸盐（或磺酸）直接转化为高价值的磺酰氟。这种新的协议具有温和的反应条件，使用现成且易于操作的试剂。制备了多种磺酰氟，以促进磺酰氟库的富集。
• Hydrogen-bond-driven ‘homogeneous intercalation’ for rapid, reversible, and ultra-precise actuation of layered clay nanosheets
  作者：Shinsuke Ishihara、Nobuo Iyi、Yoshihiro Tsujimoto、Satoshi Tominaka、Yoshitaka Matsushita、Venkata Krishnan、Misaho Akada、Jan Labuta、Kenzo Deguchi、Shinobu Ohki、Masataka Tansho、Tadashi Shimizu、Qingmin Ji、Yusuke Yamauchi、Jonathan P. Hill、Hideki Abe、Katsuhiko Ariga

  DOI：10.1039/c3cc40398j

  日期：——

  The use of hydrogen bonds permits a fluidic motion of differently sized alcohol molecules across the interlayer gap in LDH, which enables rapid and reversible tuning of interlayer spacing of the LDH at sub-Ångström precision by changing the mole ratio of the different alcohols.

  氢键的使用允许不同大小的醇分子在LDH的层间间隙中进行流动，这使得通过改变不同醇的摩尔比，可以在亚埃级精度下快速可逆地调节LDH的层间距。
• [EN] COMPOUNDS AND METHODS FOR CONTROLLING BACTERIAL VIRULENCE<br/>[FR] COMPOSES ET PROCEDES DE LUTTE CONTRE LA VIRULENCE DES BACTERIES
  申请人：QSI PHARMA AS

  公开号：WO2003106445A1

  公开（公告）日：2003-12-24

  Novel sulfonated homoserine lactones formula I have been found to act ac quorum sensing inhibitors. As such, they may be useful in the treatment of bacterial infections.

  已发现，新型磺化同源丝氨酸内酯化合物I可作为群体感应抑制剂。因此，它们可能在治疗细菌感染方面具有用处。
• Feeding buffers, systems, and methods for in vitro synthesis of biomolecules
  申请人：Kudlicki Antoni Wieslaw

  公开号：US20060110788A1

  公开（公告）日：2006-05-25

  Compositions, methods and kits for in vitro systems for synthesis of biomolecules such as polypeptides, are provided herein. Cell extracts that provide enhanced yields of soluble proteins using in vitro protein synthesis methods are provided. The invention also includes methods for producing high yields of proteins by the addition of a feeding solution that includes amino acids and an energy source to an ongoing in vitro synthesis system. The invention also includes methods of using a high-yield in vitro synthesis system to produce large quantities of proteins with incorporated labeled amino acids for analysis by methods such as by NMR. The invention further includes vectors for enhanced production of proteins from nucleic acid templates using in vitro synthesis systems.

  本文提供了用于合成生物分子（如多肽）的体外系统的组合物、方法和试剂盒。还提供了使用体外蛋白质合成方法提供增强可溶蛋白质收率的细胞提取物。本发明还包括通过向正在进行的体外合成系统添加包括氨基酸和能量来源的喂养溶液来产生高产量蛋白质的方法。本发明还包括使用高产量体外合成系统来生产大量含有标记氨基酸的蛋白质，以便通过NMR等方法进行分析的方法。本发明还包括用于增强从核酸模板中产生蛋白质的体外合成系统的载体。

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