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Home Carboxes 186517-41-9
186517-41-9,MFCD01631342
Catalog No.:AA003J3Z

186517-41-9 | 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
2g
95%
in stock  
$30.00   $21.00
- +
5g
95%
in stock  
$70.00   $49.00
- +
10g
95%
in stock  
$138.00   $96.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003J3Z
Chemical Name:
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
CAS Number:
186517-41-9
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
MDL Number:
MFCD01631342
SMILES:
OC(=O)c1c(F)c(Cl)ccc1C(F)(F)F
Properties
Properties
 
BP:
263.2°C at 760 mmHg  
Form:
Solid  
MP:
96-98 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.1  

Downstream Synthesis Route
124-38-9    32137-20-5   
3-chloro-2-fluoro-6-(trifluoromethyl)benzoicacid 

[1]Patent:US6054605,2000,A

[1]Akama,Tsutomu;Dong,Chen;Virtucio,Charlotte;Freund,YvonneR.;Chen,Daitao;Orr,MatthewD.;Jacobs,RobertT.;Zhang,Yong-Kang;Hernandez,Vincent;Liu,Yang;Wu,Anne;Bu,Wei;Liu,Liang;Jarnagin,Kurt;Plattner,JacobJ.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#21,p.5870-5873]

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2014/114779,2014,A1Locationinpatent:Page/Pagecolumn37

CASUnavailable 
  186517-41-9    1620997-77-4 

[1]CurrentPatentAssignee:H.LUNDBECKA/S-WO2014/114779,2014,A1Locationinpatent:Page/Pagecolumn37-38

[1]CurrentPatentAssignee:BAYERAG-WO2022/194842,2022,A1Locationinpatent:Page/Pagecolumn14

[2]CurrentPatentAssignee:BAYERAG-WO2022/194842,2022,A1Locationinpatent:Page/Pagecolumn14

Literature
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SDS
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Tags:186517-41-9 Molecular Formula|186517-41-9 MDL|186517-41-9 SMILES|186517-41-9 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid