166172-63-0 ((1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准),(r)-(-)-1-[(s)-2-(di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl]ethyldi(3,5-dimethylphenyl)phosphine)

CAS号:
166172-63-0
中文名称:
(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)
英文名称:
(r)-(-)-1-[(s)-2-(di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl]ethyldi(3,5-dimethylphenyl)phosphine
分子式:
C44H36F12FeP2
分子量:
910.530016899109

(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)(166172-63-0)名称与标识符

名称

中文别名:
(R)-1-{(SP)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二(3,5-二甲苯基)膦;(R)-(-)-1-{(S)-2-[双(3,5-二-三氟甲基苯基)膦]二茂铁基}乙基二-3,5-二甲苯基膦;(R)-1-{(S)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二(3,5-二甲苯基)膦;吡啶-3,4-二腈;(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准);(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 CAS 标准);(1R)-1-[二[3,5-二(三氟甲基)苯基]膦基]-2-[(1R)-1-[二(3,5-二甲基苯基)膦基]乙基]二茂铁;(R)-1-{(SP)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二;(R)-1-[(S)-2-二-(3,5-二(三氟甲基)苯基膦基)二茂铁基]-乙基-二(3,5-二甲苯基)膦;(R)-1-[(Sp)-2-双(3,5-二三氟甲基苯)基膦二茂铁基]乙基双-3,5-二甲苯基膦;(R)-1-{(R)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二(3,5-二甲苯基)膦;
英文别名:
(r)-(-)-1-[(s)-2-(di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl]ethyldi(3,5-dimethylphenyl)phosphine;(R)-1-{(SP)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine;(R)-(-)-1-((S)-2-(Di(3,5-Bis-Trifluoromethylphenyl)Phosphino)Ferr;(R)-(-)-1-((S)-2-(Di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl)ethyl-;(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine;(R)-1-{(S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-ferrocenyl}ethyldi(3;Josiphos SL-J008-1;(R)-1-[(S)-2-Di-(3,5-bis(trifluoromethyl)phenyl-phosphino)-ferrocenyl]-ethyl-di-(3,5-xylyl)-phosphine;(R)-1-{(S)-2-[Bi;(R)-(-)-1-{(S)-2-[Bis(3,5-ditrifluoromethylphenyl) di-3,5-xylylphosphine;(R)-1-{(SP)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine >=97%;(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine,min.97%;(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine, min. 97%;(R)-1-[(Sp)-2-2-Bis[3,5-bis(trifluoromethyl)phenyl phosphino]ferrocenyl]ethyldi(3,5-xylyl)phosphine;(R)-(-)-1-((S)-2-(Di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl)ethyl-di-(3,5-dimethylphenyl)phosphine;(r,r)-1-{1-[bis(3,5-dimethylphenyl)phosphino]ethyl}-2-{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}ferrocene (acc to cas);

标识符

MDL:
MFCD08561153
InChIKey:
MNTLEQJADXVKKK-FAVHNTAZSA-N
Inchi:
1S/C23H26P.C21H10F12P.Fe/c1-16-10-17(2)13-22(12-16)24(20(5)21-8-6-7-9-21)23-14-18(3)11-19(4)15-23;22-18(23,24)11-5-12(19(25,26)27)8-16(7-11)34(15-3-1-2-4-15)17-9-13(20(28,29)30)6-14(10-17)21(31,32)33;/h6-15,20H,1-5H3;1-10H;/t20-;;/m1../s1
SMILES:
P([C]1[CH][CH][CH][CH]1)(C1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1.P([C@H](C)[C]1[CH][CH][CH][CH]1)(C1C=C(C=C(C)C=1)C)C1C=C(C=C(C)C=1)C.[Fe]

(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)(166172-63-0)物化性质

实验特性

  • LogP : 12.41510
  • PSA : 27.18000
  • 沸点 : No data available
  • 熔点 : No data available
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : No data avaiable
  • 比旋光度 : -280° ±10° (c 0.5, CHCl3)

计算特性

  • 精确分子量 : 910.14500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 11
  • 重原子数量 : 59
  • 复杂度 : 1050
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0

(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)(166172-63-0)安全信息

(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)(166172-63-0)海关数据

海关编码:
29319090

(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)(166172-63-0)推荐厂家 更多厂家(20)

(1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)(166172-63-0) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       (R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine, min. 97%    
   CAS Registry Number:       166172-63-0    
   Formula:       C44H36F12FeP2    
   EINECS Number:       None    
   Chemical Family:       organophosphine ligand    
   Synonym:       None    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       166172-63-0       100%       2.5mg/m3 (as F)       2.5mg/m3 (as F)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, and eyes. May be irritating to the respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       May be 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 and eyes. May be irritating to the respiratory tract.    
   Product contains fluorine which, under certain conditions of use, decomposition or metabolism, may generate
   Chronic Health Affects:       fluoride ion causing nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure and kidney and liver damage.
   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:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product 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 and       If involved in a fire this material may emit toxic organic fumes and vapors of phosphorus pentoxide.    
   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
   Keep material in a tightly sealed container. Prolonged exposure to the air will result in degradation of the
   Handling and Storage:
   product. Handle and store material under an inert atmosphere of nitrogen or argon.

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 Respirator
   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:       orange pwdr.    
   Molecular Weight:       910.57    
   Melting Point:       no data    
   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 and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       exposure to oxygen, contact with strong oxidizing agents    
   Incompatibility:       Oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, phosphorus oxides, fluoroorganics, and iron 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