Home Fluorides 13630-19-8
13630-19-8,MFCD00153204
Catalog No.:AA003HM0
13630-19-8 | 2-Methylbenzotrifluoride
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1g
98%
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$10.00
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5g
98%
in stock  
$35.00
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25g
98%
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$95.00
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100g
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$284.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HM0
Chemical Name:
2-Methylbenzotrifluoride
CAS Number:
13630-19-8
Molecular Formula:
C8H7F3
Molecular Weight:
160.1364
MDL Number:
MFCD00153204
IUPAC Name:
1-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
InChI Key:
DVFVNJHIVAPTMS-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.139g/mol
Monoisotopic Mass:
160.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
2-Methylbenzotrifluoride 
13630-19-8 
2-methyl-1-(trifluoromethyl)benzene 
trifluoromethyltoluene 
PubChem1657 
trifluoromethyl toluene 
2-methylbenzotrifuoride 
2-Trifluoromethyltoluene 
AC1MCQ5E 
Intermediates-ZCF02050 
KSC915E1B 
SCHEMBL169124 
1-methyl-2-(trifluoromethyl)benzene 
2-methylbenzotrifluoride, 97+% 
CTK8B5210 
KS-00000EWV 
DTXSID40379525 
DVFVNJHIVAPTMS-UHFFFAOYSA-N 
ACT13123 
ZINC2526244 
ZX-AP004629 
2-Methylbenzotrifluoride, AldrichCPR 
ANW-47977 
2-(Trifluoromethyl)toluene 
BBL104099 
FCH917531 
PC5067 
SBB087418 
STL557914 
AKOS005255031 
AC-4149 
AM61763 
AN-2068 
AS01762 
1-Methyl-2-trifluoromethyl-benzene 
CM13256 
CS-W002447 
LF10154 
LS10424 
RP22320 
RTR-004862 
AJ-37574 
BR-53820 
CC-11474 
DS-14288 
alpha,alpha,alpha-Trifluoro-o-xylene 
R398 
SC-00920 
SY022894 
AB0018137 
AX8031825 
DB-000365 
ST2415404 
TL8000841 
FT-0084651 
FT-0613011 
MFCD00153204 
M1215 
ST50407369 
B-7197 
2-methylbenzotrifluoride/2-trifluoromethyltoluene 
MFCD00153204 (97+%) 
630M198 
C-03956 
I01-3131 
J-510043 
2-(trifluoromethyl)toluene~alpha,alpha,alpha-trifluoro-o-xylene 
Benzene, methyl(trifluoromethyl)- 
3-(p-Tolyl)-1H-pyrazole 
C8H7F3 
ACN-055962 
CID2775324 
A2921 
144851-82-1 
Benzene, 1-methyl-2-(trifluoromethyl)- 
AK-53820 
Literature

Title: Synthesis and antiviral evaluation of 6-(trifluoromethylbenzyl) and 6-(fluorobenzyl) analogues of HIV drugs emivirine and GCA-186.

Journal: Archiv der Pharmazie 20080101

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