5399-58-6

• 常用中文名：2-丙基磺酸钠一水化物
• 常用英文名：2-Propanesulfonic acid,sodium salt (1:1)
• CAS号：5399-58-6
• 分子式：C₃H₇NaO₃S
• 分子量：146.14100
• 相关类别： 化学试剂 有机试剂 磺酸盐/亚磺酸盐
• 发布时间：2018-07-02 18:58:38
• 更新时间：2024-01-17 13:23:30

名称

• 中文名: 2-丙基磺酸钠一水化物
• 英文名: 2-propanesulfonic acid sodium salt
• 英文别名: sodium propane-2-sulfonate; propane-2-sulfonic acid,sodium-salt; sodium propane-2-sulphonate; MFCD00150629; EINECS 226-434-2; Propan-2-sulfonsaeure,Natrium-Salz

物化性质

• 熔点: >300ºC(lit.)
• 分子式: C₃H₇NaO₃S
• 分子量: 146.14100
• 精确质量: 146.00100
• PSA: 65.58000
• LogP: 1.02080
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-0.2

  2、 氢键供体数量：0

  3、 氢键受体数量：3

  4、 可旋转化学键数量：0

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：57.2

  7、 重原子数量：7

  8、 表面电荷：-1

  9、 复杂度：113

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：0

  12、 不确定原子立构中心数量：0

  13、 确定化学键立构中心数量：0

  14、 不确定化学键立构中心数量：0

  15、 共价键单元数量：1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：＞300

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,11mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

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: 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. 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. 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: 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. 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. 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. 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. 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 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. 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. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. 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. 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. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): 26-36/37/39
• WGK德国: 3
• 海关编码: 2904100000

合成路线

75-29-6 ~% 5399-58-6

文献：Journal of the American Chemical Society, , vol. 114, # 5 p. 1743 - 1749

75-26-3 ~% 5399-58-6

文献：Journal of the American Pharmaceutical Association (1912-1977), , vol. 46, p. 578

10147-37-2 ~% 5399-58-6

文献：Journal fuer Praktische Chemie (Leipzig), , vol. 322, # 6 p. 987 - 990

海关

海关编码	2904100000
中文概述	2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%