1,4-Piperazinediethanesulfonicacid, sodium salt (2:3)

物化性质

外观与性状：

白色粉末

熔点：

300 °C

水溶解性：

可溶

存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。

稳定性相关：

常温常压下稳定，避免与强氧化剂接触。

其它信息：

1. 性状：白色固体

2. 密度（g/mL,20℃）：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，1mmHg）：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：溶于水

安全信息

外观与性状：

白色粉末

熔点：

300 °C

水溶解性：

可溶

存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。

稳定性相关：

常温常压下稳定，避免与强氧化剂接触。

其它信息：

1. 性状：白色固体

2. 密度（g/mL,20℃）：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，1mmHg）：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：溶于水

MSDS

Name:	PIPES Sesquisodium salt Material Safety Data Sheet
Synonym:	Piperazine-1,4-Bis(2-ethanesulfonic acid) sesquisodium salt
CAS:	100037-69-2

Section 1 - Chemical Product   MSDS Name:PIPES Sesquisodium salt Material Safety Data Sheet
Synonym:Piperazine-1,4-Bis(2-ethanesulfonic acid) sesquisodium salt
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
100037-69-2	PIPES, sesquisodium salt	ca.100	unlisted

Hazard Symbols: T
Risk Phrases: 25
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. No sensitizing effects known.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
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.
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. Dusts at sufficient concentrations can form explosive mixtures with air. 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.
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.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. 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:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 100037-69-2: 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.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 572 deg F
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: Not applicable.
Molecular Weight: 0
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 100037-69-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
PIPES, sesquisodium salt - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Daphnia: Daphnia: >1000 mg/L; 24 Hrs; EC50Fish: Zebrafish: >1000 mg/L; 96 Hrs; LC100
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 25 Toxic if swallowed.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 100037-69-2: No information available.
Canada
CAS# 100037-69-2 is listed on Canada's DSL List.
CAS# 100037-69-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100037-69-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：无可用的

2、摩尔体积（cm³/mol）：无可用的

3、等张比容（90.2K）：无可用的

4、表面张力（dyne/cm）：无可用的

5、介电常数：无可用的

6、极化率（10^-24cm³）：无可用的

7、单一同位素质量：670.067088 Da

8、标称质量：670 Da

9、平均质量：670.6821 Da

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:16

4.可旋转化学键数量:9

5.互变异构体数量:无

6.拓扑分子极性表面积272

7.重原子数量:39

8.表面电荷:0

9.复杂度:798

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:5