(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦

  • 基本信息
  • 安全信息
  • MSDS
  • 结构与计算化学

(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦 基本信息

中文名称:
(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦 
中文别名:
(R)-1-[(SP)-2-(二环己基膦)二茂铁基乙基]二苯基膦;
(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦 
英文名称:
Ferrocene,1-(dicyclohexylphosphino)-2-[(1R)-1-(diphenylphosphino)ethyl]-, (1R)-
英文别名:
(R)-1-[(1S)-2-(DICYCLOHEXYLPHOSPHINO)FERROCENYL]ETHYLDI-PHENYLPHOSPHINE;
(R)-1-[(1S)-2-(DICYCLOHEXYLPHOSPHINO)FERROCENYL]ET;
1-{2-[P(cHex)2]-ferrocenyl}ethyl-PPh2;
(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine;
1-[2-(dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine;
(R)-(-)-1-[(S)-2-(DICYCLOHEXYLPHOSPHINO)FERROCENYL]ETHYLDIPHENYLPHOSPHINE;
(R,R)-1-(DICYCLOHEXYLPHOSPHINO)-2-[1-(DIPHENYLPHOSPHINO)ETHYL]FERROCENE;
JOSIPHOS SL-J004-1;
(R)1[(1S)2(di-C-hexylphosphino)ferrocen]et-diphenylphosphin 
CAS No.:
158923-09-2
分 子 式:
C36H44FeP2
分 子 量:
594.59
精确分子量:
594.22700
PSA:
27.18000
MDL:
MFCD00800280
InChI:
InChI=1/C31H39P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,14-18,23-25,28-29H,4-5,10-13,19-22H2,1H3;1-5H;/t25-;;/m1../s1
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
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(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦 安全信息

危险类别码:
36/37/38
安全说明:
26-36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦 MSDS


Section 1: Product Identification
   Chemical Name:       (R)-(-)-1-[(S)-2-Dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine, min. 97%    
   CAS Registry Number:       158923-09-2    
   Formula:       C36H44FeP2    
   EINECS Number:       None    
   Chemical Family:       organophosphine ligand    
   Synonym:       [(S)-1-(R)-(-)-2(Diphenylphosphanylethyl)dicyclohexyl phosphanylferrocene    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       158923-09-2       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and mucous membranes. 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:       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.    
   The toxicological properties of this compound have not been thoroughly investigated. Unrecognized hazards
   Chronic Health Affects:
   may be present.
   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 powder    
   Molecular Weight:       594.59    
   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, 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

(S)-(-)-l-[(S)-2-( 二环己基膦基) 三戊铁基]乙基二环己基膦 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):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:39

8.表面电荷:0

9.复杂度:527

10.同位素原子数量:0

11.确定原子立构中心数量:1

12.不确定原子立构中心数量:0

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:3

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