2-丙基磺酸钠一水化物

2-丙基磺酸钠一水化物 基本信息
CAS号 5399-58-6 分子式 C3H7NaO3S
分子量 146.14100 精确质量  146.00100
PSA  65.58000 LogP  1.02080

基本信息 展开↓

CAS号:
5399-58-6
3D弹球模型:
立即前往扯扯看
分子式:
C3H7NaO3S
分子量:
146.14100
中文名称:
2-丙基磺酸钠一水化物
英文名称:
2-PROPANESULFONIC ACID SODIUM SALT
中文别名:
2-丙基磺酸钠一水化物;
2-Propanesulfonic acid sodium salt Sodium propane-2-sulphonate Sodium propane-2-sulfonate. 2-Propanesulfonic acid sodium salt mono- hydrate 99%
英文别名:
2-PROPANESULFONIC ACID SODIUM SALT;
propane-2-sulfonic acid,sodium-salt;
Propan-2-sulfonsaeure,Natrium-Salz;
sodium propane-2-sulphonate;
sodium propane-2-sulfonate
精确分子量/精确质量:
146.00100
极性分子表面积/PSA:
65.58000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00150629
EINECS:
226-434-2
InChI:
The Key: JUAHWAGHDQJOLT-UHFFFAOYSA-M

物化性质展开↓

熔点:
>300ºC(lit.)
其它信息:

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

安全信息展开↓

海关代码:
2904100000
危险类别码:
R22
安全说明:
26-36/37/39
危险标志:
Xn

合成路线查看所有的合成路线

  • 10147-37-2

    异丙基磺酰氯

  • 5399-58-6

    2-丙基磺酸钠一水化物

  • 75-26-3

    溴代异丙烷

  • 5399-58-6

    2-丙基磺酸钠一水化物

  • 75-29-6

    2-氯丙烷

  • 5399-58-6

    2-丙基磺酸钠一水化物

MSDS 展开↓

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

海关数据查看详细

中国海关编码:2904100000

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
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据


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

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