Home Fluorides 78164-31-5
78164-31-5,MFCD00079783
Catalog No.:AA003IFU
78164-31-5 | 3,4-Dimethylbenzotrifluoride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
99%
1 week  
$88.00   $62.00
- +
1g
99%
1 week  
$133.00   $93.00
- +
5g
99%
1 week  
$311.00   $218.00
- +
25g
99%
1 week  
$1,106.00   $774.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IFU
Chemical Name:
3,4-Dimethylbenzotrifluoride
CAS Number:
78164-31-5
Molecular Formula:
C9H9F3
Molecular Weight:
174.1630
MDL Number:
MFCD00079783
IUPAC Name:
1,2-dimethyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H9F3/c1-6-3-4-8(5-7(6)2)9(10,11)12/h3-5H,1-2H3
InChI Key:
XBHTYKIYEUHMIA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)C(F)(F)F
Properties
Computed Properties
 
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.166g/mol
Monoisotopic Mass:
174.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
3,4-Dimethylbenzotrifluoride 
1,2-dimethyl-4-(trifluoromethyl)benzene 
XBHTYKIYEUHMIA-UHFFFAOYSA-N 
ZINC2571874 
ZX-AP001882 
FCH918078 
KM1899 
MFCD00079783 
SBB088890 
1,2-Dimethyl-4-trifluoromethylbenzene 
1-trifluoromethyl-3,4-dimethylbenzene 
AKOS006229591 
78164-31-5 
AM82888 
MCULE-1659245344 
PS-8630 
AJ-41945 
AK135822 
AX8082133 
Benzene, 1,2-dimethyl-4-(trifluoromethyl)- 
CS-0077626 
FT-0614376 
ST50408157 
4-(Trifluoromethyl)-o-xylene 
A839353 
CID2737108 
PubChem16465 
AC1MC6SH 
SCHEMBL1755260 
KS-00003RAK 
DTXSID80371841 
PC3009T 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A