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90-17-5,MFCD00000804
Catalog No.:AA003VCO

90-17-5 | 2,2,2-Trichloro-1-phenylethyl acetate

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25g
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$9.00   $7.00
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100g
98%
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$17.00   $12.00
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500g
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$53.00   $37.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003VCO
Chemical Name:
2,2,2-Trichloro-1-phenylethyl acetate
CAS Number:
90-17-5
Molecular Formula:
C10H9Cl3O2
Molecular Weight:
267.5363
MDL Number:
MFCD00000804
SMILES:
CC(=O)OC(C(Cl)(Cl)Cl)c1ccccc1
NSC Number:
165582
Properties
Properties
 
BP:
351 °C at 760 mmHg  
Form:
Solid  
MP:
86-89 °C(lit.);  

Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Riemschneider[MonatsheftefurChemie,1953,vol.84,p.1228,1231]

[1]Jozitsch[ZhurnalRusskagoFiziko-KhimicheskagoObshchestva,1897,vol.29,p.111][ChemischesZentralblatt,1897,vol.68,#I,p.1015]

[1]Ettel;Weichet[CollectionofCzechoslovakChemicalCommunications,1950,vol.15,p.520,523]

[2]Mitchell[PerfumeryandEssentialOilRecord,1950,vol.41,p.41]

[3]Read;Wain[JournaloftheScienceofFoodandAgriculture,1951,vol.2,p.204,205,206]

[4]Ettel;Weichet[CollectionofCzechoslovakChemicalCommunications,1950,vol.15,p.520,523]

Aceticacid2,2,2-trichloro-1-chlorocarbonyl-ethylester 
  71-43-2    90-17-5 

[1]Bowman;Williamson[JournaloftheChemicalSociety.PerkintransactionsI,1970,vol.1,p.101-105]

[1]Zhdankina;Kryshtal';Serebryakov;Yanovskaya[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1989,vol.37,#12,p.2589-2591]

[2]Li,Jian;Xu,Xiaoliang;Zhang,Yongmin[TetrahedronLetters,2003,vol.44,#52,p.9349-9351]

[3]Ranu,BrindabanC.;Samanta,Sampak;Das,Arijit[TetrahedronLetters,2002,vol.43,#34,p.5993-5995]

[4]Tanaka,Hideo;Yamashita,Shiro;Yamanoue,Motoi;Torii,Sigeru[JournalofOrganicChemistry,1989,vol.54,#2,p.444-450]

[5]Wang,Zhe;Campagna,Silvio;Xu,Guoyou;Pierce,MichaelE.;Fortunak,JosephM.;Confalone,PatN.[TetrahedronLetters,2000,vol.41,#21,p.4007-4009]

[6]Liron,Frederic;Fosse,Celine;Pernolet,Alban;Roulland,Emmanuel[JournalofOrganicChemistry,2007,vol.72,#6,p.2220-2223]

Literature
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Tags:90-17-5 Molecular Formula|90-17-5 MDL|90-17-5 SMILES|90-17-5 2,2,2-Trichloro-1-phenylethyl acetate