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Home Fluorides 112822-85-2
112822-85-2,MFCD04972492
Catalog No.:AA0078S9

112822-85-2 | 3-Methyl-2,4,5-trifluorobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$112.00   $78.00
- +
5g
95%
in stock  
$311.00   $218.00
- +
10g
95%
in stock  
$477.00   $334.00
- +
25g
95%
in stock  
$809.00   $567.00
- +
100g
95%
in stock  
$2,007.00   $1,405.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0078S9
Chemical Name:
3-Methyl-2,4,5-trifluorobenzoic acid
CAS Number:
112822-85-2
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD04972492
SMILES:
OC(=O)c1cc(F)c(c(c1F)C)F
Properties
Computed Properties
 
Complexity:
210  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.1  

Downstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,1996,vol.44,p.1074-1085

[2]Patent:US5859026,1999,A

[3]Patent:US5547962,1996,A

[4]Patent:US5849757,1998,A

[5]Patent:US6211375,2001,B1

[1]JournalofHeterocyclicChemistry,2005,vol.42,p.669-674

[2]OrganicProcessResearchandDevelopment,2007,vol.11,p.441-449

[1]Tetrahedron,2005,vol.61,p.8394-8404

[1]Arzneimittel-Forschung/DrugResearch,2007,vol.57,p.641-646

[2]Patent:US4894458,1990,A

[3]OrganicProcessResearchandDevelopment,2007,vol.11,p.441-449

[1]Tetrahedron,2005,vol.61,p.8394-8404

[2]Tetrahedron,2005,vol.61,p.8394-8404

Literature
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SDS
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Tags:112822-85-2 Molecular Formula|112822-85-2 MDL|112822-85-2 SMILES|112822-85-2 3-Methyl-2,4,5-trifluorobenzoic acid