148347-90-4 ((+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV),Zirconium,dichlorobis[(1,2,3,3a,7a-h)-1-[5-methyl-2-(1-methylethyl)cyclohexyl]-1H-inden-1-yl]-, stereoisomer)

CAS号:
148347-90-4
中文名称:
(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)
英文名称:
Zirconium,dichlorobis[(1,2,3,3a,7a-h)-1-[5-methyl-2-(1-methylethyl)cyclohexyl]-1H-inden-1-yl]-, stereoisomer
分子式:
C38H50Cl2Zr
分子量:
668.933608531952

(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4)名称与标识符

名称

中文别名:
(+) - 二[1- {(1'R,2'R,5'R)-2'-异丙基-5'-甲基环己基}茚基]二氯化锆(IV);6-氯-1-茚满酮;(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV);(+)-BIS[1-{(1'R,2'R,5'R)-2'-I-PROPYL-5'-METHYLCYCLOHEXYL}INDENYL]ZIRCONIUM(IV)DICHLORIDE;
英文别名:
Zirconium,dichlorobis[(1,2,3,3a,7a-h)-1-[5-methyl-2-(1-methylethyl)cyclohexyl]-1H-inden-1-yl]-, stereoisomer;(+)-BIS[1-{(1'R,2'R,5'R)-2'-I-PROPYL-5'-METHYLCYCLOHEXYL}INDENYL]ZIRCONIUM (IV) DICHLORIDE;dichlorozirconium(2+),1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene;Zirconium,dichlorobis[(1,2,3,3a,7a-h)-1-[5-methyl-2-(1-methylethyl)cyclohexyl]-1H-inden-1-yl]-...;(+)-BIS[1-[(1'R,2'R,5'R)-2'-I-PROPYL-5'-METHYLCYCLOHEXYL]INDENYL]ZIRCONIUM(IV) DICHLORIDE;bis(1-(-)-neomenthylindenyl)zirconium dichloride;-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride;R,2'R,5'SC10911;(+)-BIS[1-[(1'R,2'R,5'R)-2'-I-PROPYL-5'-METHYLCYCLOHEXYL]INDENYL]ZIRCONIUM (IV) DICHLORIDE;dichlorozirconium(2+);1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene;(+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride;(+)-BIS[1-[(1/'R,2/'R,5/'R)-2/'-I-PROPYL-5/'-METHYLCYCLOHEXYL]INDENYL]ZIRCONIUM (IV) DICHLORIDE;148347-90-4;(+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV)dichloride;

标识符

MDL:
MFCD06798304
InChIKey:
LXHHYYSQWPZHTO-GLSWNTFDSA-L
Inchi:
1S/2C19H25.2ClH.Zr/c2*1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18;;;/h2*4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3;2*1H;/q;;;;+4/p-2/t2*14-,16-,19-;;;/m11.../s1
SMILES:
[Zr+2](Cl)Cl.[C@H]1(C(C)C)CC[C@@H](C)C[C@H]1[C]1[CH][CH][C]2C=CC=C[C]12.[C@H]1(C(C)C)CC[C@@H](C)C[C@H]1[C]1[CH][CH][C]2C=CC=C[C]12 |^1:13,14,15,16,21,32,33,34,35,40|

(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4)物化性质

实验特性

  • LogP : 11.31200
  • PSA : 0.00000
  • 沸点 : Not available
  • 熔点 : Not available
  • 蒸气压 : Not available
  • 闪点 : Not available
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 敏感性 : moisture sensitive
  • 比旋光度 : +71° (c 0.28, toluene)
  • 密度 : Not available

计算特性

  • 精确分子量 : 666.23400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 4
  • 同位素质量 : 666.233656g/mol
  • 重原子数量 : 41
  • 复杂度 : 365
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 3
  • 拓扑分子极性表面积 : 0Ų

(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4)国际标准相关数据

EINECS:

(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4)海关数据

海关编码:
29319090

(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4)推荐厂家 更多厂家(7)

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上海楷森生物科技有限公司 17558870519
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上海楷森生物科技有限公司 17558870519
175-58870519
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上海瀚思化工有限公司 18939883912
021-34536277
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江苏艾康生物医药研发有限公司 18795912720
025-66061636
杨情情 3004779232
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上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
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上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
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(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4)参考资料

Reaxys RN:
PubChem CID:

(+) - 二[1- {(1''R,2''R,5''R)-2''-异丙基-5''-甲基环己基}茚基]二氯化锆(IV)(148347-90-4) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium (IV) dichloride    
   CAS Registry Number:       148347-90-4    
   Formula:       C38H50Cl2Zr    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       Bis(1'R,2'R,5'R)[(2-(2-Isopropyl-5-methyl- cyclohexyl)-1H-indenyl]zirconium (IV) dichloride    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       148347-90-4       100%       5mg/m3 (as Zr)       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes, and respiratory tract. With moisture may liberate irritating fumes of hydrogen chloride.    
   Primary Routes of Exposure:       Skin, eyes, inhalation    
   Eye Contact:       Dust and vapors cause moderate to irritation of the eyes.    
   Skin Contact:       Causes moderate irritation of the skin.    
   Inhalation:       Inhalation of dust or fumes causes irritation to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Exposure to moisture slowly produces hydrochloric acid. Irritating to skin, eyes and respiratory tract.    
   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 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:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product is involved in a fire, firefighters should be equipped with NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus.
   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 hazard.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with calcium carbonate, sodium bicarbonate or other appropriate acid neutralizing
   Spill and Leak Procedures:
   non combustible solid and swept up.

SECTION 7: Handling and Storage
   The material will degrade on prolonged exposure to moisture. Keep bottle tightly sealed and away from heat
   Handling and Storage:
   and light. Handle in a dry atmosphere.

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 Respiratory
   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:       orange powder    
   Molecular Weight:       668.93    
   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:       moisture sensitive    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       exposure to moisture    
   Incompatibility:       water, strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, hydrogen chloride, organic fumes and zirconium 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