a-D-Glucopyranoside, methyl,2,6-dibenzoate 3,4-bis[bis(3,5-dimethylphenyl)phosphinite]

物化性质

熔点：

162-164ºC

其它信息：

1. 性状：未确定

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）：162-164

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC 130mmHg）：未确定

7. 折射率：未确定

8. 闪点（ºF）：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（kPa,25ºC）：未确定

12. 饱和蒸气压（kPa,60ºC）：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

熔点：

162-164ºC

其它信息：

1. 性状：未确定

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）：162-164

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC 130mmHg）：未确定

7. 折射率：未确定

8. 闪点（ºF）：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（kPa,25ºC）：未确定

12. 饱和蒸气压（kPa,60ºC）：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

Section 1: Product Identification
Methyl alpha-D-glucopyranoside-2,6-dibenzoate-3,4-di(bis(3,5-dimethylphenyl)phosphinite), min. 95%
Chemical Name:
CARBOPHOS
CAS Registry Number:158214-06-3
Formula:C53H56O8P2
EINECS Number:none
Chemical Family:organophosphine ligand
Synonym:CARBOPHOS
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound158214-06-3100%no datano data
Section 3: Hazards Identification
Emergency Overview:Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.
Primary Routes of Exposure:Ingestion, inhalation
Eye Contact:Causes slight to mild irritation of the eyes.
Skin Contact:Causes slight to mild irritation of the skin.
Inhalation:Irritating to the nose, mucous membranes and respiratory tract.
Ingestion:No information available on the physiological effects of ingestion.
Acute Health Affects:Irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information available on the long-term effects of overexposure.
NTP:No
IARC:No
OSHA:No
SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.
SECTION 5: Fire Fighting Measures
Flash Point:no data
Autoignition Temperature:none
Explosion Limits:none
Extinguishing Medium:carbon dioxide, dry powder or foam
If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.
SECTION 6: Accidental Release Measures
Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up.
SECTION 7: Handling and Storage
Store in a tightly sealed container. Keep away from heat and direct sunlight. Prolonged contact with the
Handling and Storage:
atmosphere may result in degradation of the product.
SECTION 8: Exposure Controls and Personal Protection
Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection:Wear protective clothing and gloves.
Ventilation:If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:If possible, handle the material in an efficient fume hood.
Additional Protection:No additional protection required.
SECTION 9: Physical and Chemical Properties
Color and Form:white pwdr.
Molecular Weight:882.98
Melting Point:162-164°
Boiling Point:no data
Vapor Pressure:no data
Specific Gravity:no data
Odor:none
Solubility in Water:insoluble
SECTION 10: Stability and Reactivity
Stability:air sensitive solid
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:prolonged contact with air
Incompatibility:oxidizing agents, halogens and oxygen.
Decomposition Products:carbon dioxide, carbon monoxide, phosphorus pentoxide, and organic fumes.
SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:No data available
Mutagenic Effects:No data available
Tetratogenic Effects:No data available
SECTION 12: Ecological Information
Ecological Information:No information available
SECTION 13: Disposal Considerations
Disposal:Dispose of according to local, state and federal regulations.
SECTION 14: Transportation
Shipping Name (CFR):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA
SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory.
SARA (Title 313):Title compound not listed.
Second Ingredient:none
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

计算化学数据

1、 疏水参数计算参考值（XlogP）：0.4

2、 氢键供体数量：3

3、 氢键受体数量：3

4、 可旋转化学键数量：3

5、 互变异构体数量：

6、 拓扑分子极性表面积（TPSA）：74.2

7、 重原子数量：19

8、 表面电荷：0

9、 复杂度：335

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：1

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