2,6-二异丙基苯酰亚胺新亚苯基钼(VI)双(三氟甲磺酸酯)二甲氧基乙烷二烯加合物

2,6-二异丙基苯酰亚胺新亚苯基钼(VI)双(三氟甲磺酸酯)二甲氧基乙烷二烯加合物 基本信息
CAS号 126949-63-1 分子式 C28H39F6MoNO8S2
分子量 791.69200 精确质量  793.10800
PSA  161.98000 LogP  9.15710

基本信息 展开↓

CAS号:
126949-63-1
分子式:
C28H39F6MoNO8S2
分子量:
791.69200
中文名称:
2,6-二异丙基苯酰亚胺新亚苯基钼(VI)双(三氟甲磺酸酯)二甲氧基乙烷二烯加合物
英文名称:
1,2-dimethoxyethane,[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+),trifluoromethanesulfonate
中文别名:
2,6-二异丙基苯酰亚胺新亚苯基钼(VI)双(三氟甲磺酸酯)二甲氧基乙烷二烯加合物;
2,6-二异丙基苯基亚氨基新植二烯钼(VI)双(三氟甲磺酸酯)的二甲氧基乙烷加合物
英文别名:
1,2-dimethoxyethane,[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+),trifluoromethanesulfonate;
2,6-DIISOPROPYLPHENYLIMIDO NEOPHYLIDENEMOLYBDENUM(VI) BIS(TRIFLUOROMETHANESULFONATE)DIMETHOXYETHANE ADDUCT;
2,5-DIHYDRO-FURAN-2-CARBOXYLIC ACID
精确分子量/精确质量:
793.10800
极性分子表面积/PSA:
161.98000
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。

物化性质展开↓

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):未确定

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):未确定

7.         折射率: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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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 展开↓


Section 1: Product Identification
   2,6-Diisopropylphenylimido neophylidenemolybdenum (VI) bis(trifluoromethanesulfonate)dimethoxyethane
   Chemical Name:
   adduct
   CAS Registry Number:       126949-63-1    
   Formula:       Mo(C10H12)(C12H17N)(OSO2CF3)2(C4H10O2)    
   EINECS Number:       none    
   Chemical Family:       organometallic complexes    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       126949-63-1       100%       10mg/m3 (as Mo)       15mg/m3 (as Mo)    

Section 3: Hazards Identification
   Severe irritant to skin and eyes. Material hydrolyzes in contact with moisture releasing aqueous
   Emergency Overview:
   trifluoromethane sulfonic acid.
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       A severe irritant to the eyes.    
   Skin Contact:       Causes severe irritation of the skin causing redness, pain, itching, pimples, boils, hives and blisters.    
   Inhalation:       Inhalation of vapors will lead to irritation of the respiratory tract.    
   Ingestion:       Severe irritation of the Gastrointestinal system may occur.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract. May cause dyspnea (breathing difficulty), and pulmonary edema.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   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:       not applicable    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       This material may emit toxic organic fumes and hydrogen fluoride, carbonyl fluoride, and sulfur dioxide.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be neutralized with sodium carbonate, sodium bicarbonate or lime. The solids can then be
   Spill and Leak Procedures:
   swept up and properly disposed of.

SECTION 7: Handling and Storage
   Store material under argon in a tightly sealed bottle away from air and moisture. If possible, handle material in
   Handling and Storage:
   an efficient fume hood.

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 appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   In the absence of adequate ventilation a respirator should be worn. The use of a respiratory 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:       yellow to orange pwdr.    
   Molecular Weight:       791.68    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive, moisture sensitive (store cold)    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       Contact with air or moisture.    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbonyl fluoride, carbon monoxide, organic fumes, hydrogen fluoride, and sulfur dioxide.    

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展开↓

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:793.107533 Da

8、标称质量:793 Da

9、平均质量:791.6716 Da

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