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850156-39-7,MFCD04115830
Catalog No.:AA004TBD

850156-39-7 | 2-Chloro-3-(trifluoromethyl)benzoyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$54.00   $38.00
- +
5g
95%
in stock  
$153.00   $107.00
- +
25g
95%
in stock  
$602.00   $421.00
- +
100g
95%
in stock  
$2,007.00 $1,405.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004TBD
Chemical Name:
2-Chloro-3-(trifluoromethyl)benzoyl chloride
CAS Number:
850156-39-7
Molecular Formula:
C8H3Cl2F3O
Molecular Weight:
243.0100
MDL Number:
MFCD04115830
SMILES:
ClC(=O)c1cccc(c1Cl)C(F)(F)F
Properties
Properties
 
BP:
224  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2006,vol.49,p.3659-3666

[2]Patent:US2009/30033,2009,A1.Locationinpatent:Page/Pagecolumn30

[3]Patent:WO2010/87761,2010,A1.Locationinpatent:Page/Pagecolumn82

[4]Patent:US2007/105842,2007,A1.Locationinpatent:Page/Pagecolumn24

[5]Patent:WO2011/104584,2011,A1.Locationinpatent:Page/Pagecolumn33

[6]Patent:US2014/275056,2014,A1.Locationinpatent:Paragraph0209

[7]Patent:US2014/275015,2014,A1.Locationinpatent:Paragraph0284

[8]OrganicProcessResearchandDevelopment,2015,vol.19,p.506-513

[9]JournalofMedicinalChemistry,2016,vol.59,p.8535-8548

[10]JournalofMedicinalChemistry,2018,vol.61,p.207-223

[11]Patent:WO2007/113309,2007,A2.Locationinpatent:Page/Pagecolumn35-36

[1]Nelson,DerekW.;Gregg,RobertJ.;Kort,MichaelE.;Perez-Medrano,Arturo;Voight,EricA.;Wang,Ying;Grayson,George;Namovic,MarianT.;Donnelly-Roberts,DianaL.;Niforatos,Wende;Honore,Prisca;Jarvis,MichaelF.;Faltynek,ConnieR.;Carroll,WilliamA.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3659-3666]

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/113309,2007,A2Locationinpatent:Page/Pagecolumn31

[1]Patent:WO2010/125101,2010,A1.Locationinpatent:Page/Pagecolumn61

[1]Patent:WO2010/125101,2010,A1.Locationinpatent:Page/Pagecolumn61-62

Literature
Quotation Request
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SDS
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Tags:850156-39-7 Molecular Formula|850156-39-7 MDL|850156-39-7 SMILES|850156-39-7 2-Chloro-3-(trifluoromethyl)benzoyl chloride
Catalog No.: AA004TBD
850156-39-7,MFCD04115830
850156-39-7 | 2-Chloro-3-(trifluoromethyl)benzoyl chloride
Pack Size： 1g
Purity： 95%
in stock
$54.00 $38.00
Pack Size： 5g
Purity： 95%
in stock
$153.00 $107.00
Pack Size： 25g
Purity： 95%
in stock
$602.00 $421.00
Pack Size： 100g
Purity： 95%
in stock
$2,007.00 $1,405.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004TBD
Chemical Name: 2-Chloro-3-(trifluoromethyl)benzoyl chloride
CAS Number: 850156-39-7
Molecular Formula: C8H3Cl2F3O
Molecular Weight: 243.0100
MDL Number: MFCD04115830
SMILES: ClC(=O)c1cccc(c1Cl)C(F)(F)F
Properties
BP: 224  
Complexity: 229  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
39226-97-6    850156-39-7 

[1]JournalofMedicinalChemistry,2006,vol.49,p.3659-3666

[2]Patent:US2009/30033,2009,A1.Locationinpatent:Page/Pagecolumn30

[3]Patent:WO2010/87761,2010,A1.Locationinpatent:Page/Pagecolumn82

[4]Patent:US2007/105842,2007,A1.Locationinpatent:Page/Pagecolumn24

[5]Patent:WO2011/104584,2011,A1.Locationinpatent:Page/Pagecolumn33

[6]Patent:US2014/275056,2014,A1.Locationinpatent:Paragraph0209

[7]Patent:US2014/275015,2014,A1.Locationinpatent:Paragraph0284

[8]OrganicProcessResearchandDevelopment,2015,vol.19,p.506-513

[9]JournalofMedicinalChemistry,2016,vol.59,p.8535-8548

[10]JournalofMedicinalChemistry,2018,vol.61,p.207-223

[11]Patent:WO2007/113309,2007,A2.Locationinpatent:Page/Pagecolumn35-36

850156-39-7    62584-32-1 

[1]Nelson,DerekW.;Gregg,RobertJ.;Kort,MichaelE.;Perez-Medrano,Arturo;Voight,EricA.;Wang,Ying;Grayson,George;Namovic,MarianT.;Donnelly-Roberts,DianaL.;Niforatos,Wende;Honore,Prisca;Jarvis,MichaelF.;Faltynek,ConnieR.;Carroll,WilliamA.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3659-3666]

850156-39-7    15028-39-4    951790-43-5 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/113309,2007,A2Locationinpatent:Page/Pagecolumn31

850156-39-7    91476-80-1    1253800-44-0 

[1]Patent:WO2010/125101,2010,A1.Locationinpatent:Page/Pagecolumn61

850156-39-7    126069-70-3    1253800-45-1 

[1]Patent:WO2010/125101,2010,A1.Locationinpatent:Page/Pagecolumn61-62

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