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133261-33-3,MFCD09037363
Catalog No.:AA0014FJ

133261-33-3 | Trans-4-(trifluoromethyl)cyclohexanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$23.00   $16.00
- +
5g
95%
in stock  
$47.00   $33.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0014FJ
Chemical Name:
Trans-4-(trifluoromethyl)cyclohexanecarboxylic acid
CAS Number:
133261-33-3
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
MDL Number:
MFCD09037363
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)C(F)(F)F
Properties
Properties
 
BP:
233.5°C at 760 mmHg  
Form:
Solid  
MP:
154 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
192  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Upstream Synthesis Route

[1]Patent:WO2016/61160,2016,A1,.Locationinpatent:Paragraph00172

[2]Patent:US2011/53974,2011,A1,.Locationinpatent:Page/Pagecolumn54

[3]Patent:WO2014/123882,2014,A1,.Locationinpatent:Page/Pagecolumn82

[4]Patent:WO2017/24018,2017,A1,.Locationinpatent:Paragraph00159;00160

Downstream Synthesis Route
133261-33-3   
dichlorobisϖ-cyclopentadienyltitanium 
  926-62-5    133261-34-4 

[1]Patent:US5209868,1993,A

[1]Patent:WO2007/71434,2007,A1.Locationinpatent:Page/Pagecolumn56

[2]Patent:WO2007/147794,2007,A1.Locationinpatent:Page/Pagecolumn36-37

[3]Patent:WO2012/22793,2012,A1.Locationinpatent:Page/Pagecolumn63

[4]Patent:US2012/214786,2012,A1.Locationinpatent:Page/Pagecolumn33

[1]Patent:US2011/53974,2011,A1

[1]Patent:WO2016/61160,2016,A1.Locationinpatent:Paragraph00172

[2]Patent:US2019/62309,2019,A1.Locationinpatent:Paragraph0934;0935

[3]Patent:US2011/53974,2011,A1.Locationinpatent:Page/Pagecolumn54

[4]Patent:WO2014/123882,2014,A1.Locationinpatent:Page/Pagecolumn82

[5]Patent:WO2017/24018,2017,A1.Locationinpatent:Paragraph00159;00160

Literature
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SDS
Tags:133261-33-3 Molecular Formula|133261-33-3 MDL|133261-33-3 SMILES|133261-33-3 Trans-4-(trifluoromethyl)cyclohexanecarboxylic acid