propane-2-sulfonic acid ; sodium-salt | 5399-58-6

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 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: propane-2-sulfonic acid ; sodium-salt
• 英文别名: Propan-2-sulfonsaeure; Natrium-Salz；sodium propane-2-sulfonate；2-Propanesulfonic acid, sodium salt；sodium;propane-2-sulfonate
• CAS: 5399-58-6
• 化学式: C₃H₇O₃S*Na
• 分子量: 146.143
• InChiKey: JUAHWAGHDQJOLT-UHFFFAOYSA-M

物化性质

• 熔点：
  >300 °C(lit.)
• 溶解度：
  少量溶于甲醇和水

计算性质

• 辛醇/水分配系数(LogP)：
  -3.06
• 重原子数：
  8
• 可旋转键数：
  1
• 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

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R22
• WGK Germany：
  3
• 海关编码：
  2904100000

SDS

Name:	2-Propanesulfonic acid sodium salt mono- hydrate Material Safety Data Sheet
Synonym:
CAS:	5399-58-6

Section 1 - Chemical Product MSDS Name:2-Propanesulfonic acid sodium salt mono- hydrate Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5399-58-6	2-Propanesulfonic acid, sodium salt		226-434-2

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:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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.
Exposure Limits CAS# 5399-58-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3H7NaO3S.H2O
Molecular Weight: 164.16

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5399-58-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Propanesulfonic 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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:
WGK (Water Danger/Protection)
CAS# 5399-58-6: No information available.
Canada
CAS# 5399-58-6 is listed on Canada's NDSL List.
CAS# 5399-58-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5399-58-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  propane-2-sulfonic acid ; sodium-salt 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 12.0h， 生成 异丙基磺酰氯
  参考文献：
  名称：

  King; Lam; Skonieczny, Journal of the American Chemical Society, 1992, vol. 114, # 5, p. 1743 - 1749

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯丙烷 在 sodium sulfite 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 24.0h， 生成 propane-2-sulfonic acid ; sodium-salt
  参考文献：
  名称：

  King; Lam; Skonieczny, Journal of the American Chemical Society, 1992, vol. 114, # 5, p. 1743 - 1749

  摘要：

  DOI：

文献信息

• Tagging Peptides with a Redox Responsive Fluorescent Probe Enabled by Photoredox Difunctionalization of Phenylacetylenes with Sulfinates and Disulfides
  作者：Hong Liu、Guolin Li、Zhiyuan Peng、Shishuo Zhang、Xin Zhou、Qingchao Liu、Junfeng Wang、Yonghong Liu、Tiezheng Jia

  DOI：10.1021/jacsau.2c00577

  日期：2022.12.26

  regio- and stereoselectivity. Moreover, this powerful tactic could be employed to tag cysteine residues of complex polypeptides in solution or on resin merging with solid phase peptide synthesis (SPPS) techniques. A sulfonyl-derived redox responsive fluorescent probe could be conveniently introduced on the peptide, which displays green fluorescence in cells while showing blue fluorescence in medium

  在此，我们描述了芳基炔烃与二烷基二硫化物和烷基亚磺酸盐直接发生的光氧化还原三组分原子转移自由基加成 (ATRA) 反应，避免了使用化学不稳定且具有合成挑战性的S-烷基烷基硫代磺酸盐作为可行的加成伙伴。大量的 ( E)-β-烷基磺酰基乙烯基烷基硫化物的制备具有很好的区域选择性和立体选择性。此外，这种强大的策略可用于标记溶液中复杂多肽的半胱氨酸残基或在树脂上与固相肽合成 (SPPS) 技术合并。可以方便地将磺酰基衍生的氧化还原响应荧光探针引入肽上，其在细胞中显示绿色荧光，而在培养基中显示蓝色荧光。光物理研究表明，发射荧光的红移证明羰基还原为相应的羟基部分。有趣的是，标记肽的荧光变化可以通过 H 2 O 2处理在细胞中恢复，由于活性氧 (ROS) 水平升高，羟基再氧化回酮而产生。
• 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF
  申请人：Shanghai Haiyan Pharmaceutical Technology Co., Ltd.

  公开号：EP3235816B1

  公开（公告）日：2020-02-12
• Hampel, M.; Just, G.; Krebes, W., Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 6, p. 987 - 990
  作者：Hampel, M.、Just, G.、Krebes, W.、Pritzkow, W.

  DOI：——

  日期：——
• Roll; Cwalina, Journal of the American Pharmaceutical Association (1912), 1957, vol. 46, p. 578
  作者：Roll、Cwalina

  DOI：——

  日期：——
• King; Lam; Skonieczny, Journal of the American Chemical Society, 1992, vol. 114, # 5, p. 1743 - 1749
  作者：King、Lam、Skonieczny

  DOI：——

  日期：——

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