Home Fluorides 455-40-3
455-40-3,MFCD00010323
Catalog No.:AA003IK0
455-40-3 | 3,5-Difluorobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$15.00   $10.00
- +
25g
97%
in stock  
$20.00   $14.00
- +
100g
97%
in stock  
$66.00   $46.00
- +
500g
97%
in stock  
$263.00   $184.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IK0
Chemical Name:
3,5-Difluorobenzoic acid
CAS Number:
455-40-3
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
MDL Number:
MFCD00010323
IUPAC Name:
3,5-difluorobenzoic acid
InChI:
InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key:
GONAVIHGXFBTOZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)cc(c1)F
NSC Number:
403726
Properties
Computed Properties
 
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.018g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.104g/mol
Monoisotopic Mass:
158.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3,5-Difluorobenzoic acid 
455-40-3 
3,5 difluorobenzoic acid 
ACMC-209k3a 
3,5 difluoro benzoic acid 
3,5-di-fluorobenzoic acid 
3,5-difluoro-benzoic acid 
AC1Q4NA1 
KSC236S3H 
SCHEMBL157714 
PARAGOS 500056 
RARECHEM AL BO 0255 
3,5-difluorobenzoicacid 
CTK1D6933 
KS-00000COL 
TIMTEC-BB SBB006663 
DTXSID80196536 
3,5-Difluorobenzoic acid, 97% 
WT262 
ZINC409276 
AC1Q7313 
ACT09682 
JRD-0027 
Benzoic acid, 3,5-difluoro- 
ANW-30308 
SBB006663 
STL169003 
WT2209 
AKOS000120654 
AB01033 
AC-3950 
AN-6234 
AS00842 
CM12663 
MFCD00010323 
CS-W016212 
LS11169 
MCULE-3546027366 
NSC-403726 
PF10948 
PS-8818 
RP00318 
RTC-062263 
TRA0029832 
AJ-22714 
GONAVIHGXFBTOZ-UHFFFAOYSA-N 
AK-29265 
BR-29265 
SC-04664 
SY013820 
AB0008567 
DB-022051 
TC-062263 
TL8003166 
AM20060099 
D2596 
455-40-3 3,5-Difluorobenzoic acid 
FT-0084622 
FT-0614595 
ST24032538 
ST50307031 
EN300-20992 
MFCD00010323 (98%) 
I01-2731 
J-511326 
InChI=1/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11 
3,5-Difluoro benzoicacid 
NSC403726 
C7H4F2O2 
C7-H4-F2-O2 
AR-1E9649 
CID101265 
A7173 
M-3055 
3,5-Difluorobenzoic acid, 97% - 100G 100g 
489-41-8 
PubChem2173 
AC1L2QGT 
Literature

Title: Bis(μ-3,5-difluorobenzoato)bis[(3,5-di-fluorobenzoato)dimethyltin(IV)].

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110121

Title: Hyperpolarized (13)C magnetic resonance detection of carboxypeptidase G2 activity.

Journal: Magnetic resonance in medicine 20091101

Title: 2,3-Difluoro-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20080201

Title: The first hexanuclear copper(I) carboxylate: X-ray crystal structure and reactivity in solution and gas-phase reactions.

Journal: Inorganic chemistry 20070917

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A