2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(叔丁醇化物)

2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(叔丁醇化物) 基本信息
CAS号 126949-65-3 分子式 C30H47MoNO2
分子量 549.66000 精确质量  551.26600
PSA  30.82000 LogP  9.14830

等价的CAS号:

149883-28-3,149883-27-2,126949-65-3

基本信息 展开↓

CAS号:
126949-65-3
3D弹球模型:
立即前往扯扯看
分子式:
C30H47MoNO2
分子量:
549.66000
中文名称:
2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(叔丁醇化物)
英文名称:
butan-1-ol,[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
中文别名:
2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(叔丁醇化物);
2,6-二异丙基亚胺双叔丁氧基钼
英文别名:
butan-1-ol,[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;
2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(t-butoxide);
2,5-DIHYDROTHIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
精确分子量/精确质量:
551.26600
极性分子表面积/PSA:
30.82000
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。
InChI:
The Key: ZAIODWTYOLJVJQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1 g/cm3
其它信息:

1.        性状:未确定

2.         密度(g/mL,20):1.0

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

安全信息展开↓

危险类别码:
20/21/22-36/37/38
安全说明:
22-36/37/39
安全标志:
S22:不要吸入粉尘。
:

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       2,6-Diisopropylphenylimido neophylidene molybdenum(VI) bis(t-butoxide)    
   CAS Registry Number:       126949-65-3    
   Formula:       Mo(C10H12)(C12H17N)(OC4H9)2    
   EINECS Number:       none    
   Chemical Family:       organometallic complexes    
   Synonym:       Schrock Hoveyda catalyst    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       126949-65-3       100%       10mg/m3( as Mo)       15mg/m3 (as Mo)    

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 severe irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to skin, eyes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   No information available on long-term chronic effects. t-butanol in high doses has acted as a reproductive
   Chronic Health Affects:
   effector.
   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 in
   Inhalation:
   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:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam.    
   If involved in a fire, fire fighters should be equipped with NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If 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
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Handle and store the material under an inert atmosphere of nitrogen or argon. Keep away from heat.    

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:       Material may form a fine dust. 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 Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. 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 powder    
   Molecular Weight:       549.65    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       1    
   Odor:       not determined    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive (store cold)    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       contact with air and moisture    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, organic fumes and molybdenum oxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

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:551.266087 Da

8、标称质量:551 Da

9、平均质量:549.6397 Da

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便