34825-99-5 ((2-氰基苯基)二苯基膦,2-(Diphenylphosphino)benzonitrile)

CAS号:
34825-99-5
中文名称:
(2-氰基苯基)二苯基膦
英文名称:
2-(Diphenylphosphino)benzonitrile
安全信息:
分子式:
C19H14NP
分子量:
287.29492521286
相关分类:

(2-氰基苯基)二苯基膦(34825-99-5)名称与标识符

名称

中文别名:
(2 - 氰基苯基)二苯基膦;2-(二苯基膦)苄腈;氨基乙基氨基丙基倍半硅氧烷水溶液;(2-氰基苯基)二苯基膦;
英文别名:
2-diphenylphosphanylbenzonitrile;o-cyanophenyl(diphenyl)phosphine;Benzonitrile, 2-(diphenylphosphino)-;AG-F-19518;2-(diphenylphosphanyl)benzonitrile;2-(diphenylphosphino)benzonitrile;CTK1B7420;2-diphenylphosphinobenzonitrile;(2-cyanophenyl)diphenylphosphine;o-(diphenylphosphino)benzonitrile;AC1NEEDB;Benzonitrile,2-(diphenylphosphino);DB-009787;SCHEMBL8468481;CS-0086880;D90354;DTXSID60404641;34825-99-5;D4953;(diphenylphosphino)benzonitrile;J-506401;2-(Diphenylphosphino)-benzonitrile;MFCD05864011;

标识符

MDL:
MFCD05864011
InChIKey:
FEOUZPAYKDNQBW-UHFFFAOYSA-N
Inchi:
1S/C19H14NP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H
SMILES:
P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1C#N

(2-氰基苯基)二苯基膦(34825-99-5)物化性质

实验特性

  • LogP : 3.31648
  • PSA : 37.38000
  • 熔点 : 148.0 to 152.0 deg-C

计算特性

  • 精确分子量 : 287.08600
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 同位素质量 : 287.086386449 g/mol
  • 重原子数量 : 21
  • 复杂度 : 341
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 4.3
  • 拓扑分子极性表面积 : 23.8Ų
  • 分子量 : 287.3

(2-氰基苯基)二苯基膦(34825-99-5)参考资料

Reaxys RN:
2983092
Beilstein:
D154315
PubChem CID:

(2-氰基苯基)二苯基膦(34825-99-5) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       (2-Cyanophenyl)diphenylphosphine, min. 98%    
   CAS Registry Number:       34825-99-5    
   Formula:       (NCC6H4)(C6H5)2P    
   EINECS Number:       none    
   Chemical Family:       organophosphine ligand    
   Synonym:       (2-Cyanophenyl)diphenylphosphane    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       34825-99-5       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Inhalation, skin, eyes    
   Eye Contact:       Causes mild to moderate 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 specific information is available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Chronic Health Affects:       No information 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:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
   Special Fire Fighting Procedures:
   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 or sodium carbonate or other non flammable adsorbent and swept
   Spill and Leak Procedures:
   up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store the material in a cool, dry place in a tightly sealed container.    

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:       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:       Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white to off-white powder    
   Molecular Weight:       287.30    
   Melting Point:       148-150°    
   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:       none    
   Incompatibility:       strong oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, phosphorous pentoxide, nitrogen oxides, organic fumes    

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 federal, state, and local 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