Home Fluorides 89976-12-5
89976-12-5,MFCD01631684
Catalog No.:AA003HKX
89976-12-5 | 1-Methyl-4-nitro-2-(trifluoromethyl)benzene
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Purity
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Quantity
  
1g
97%
in stock  
$8.00
- +
5g
97%
in stock  
$22.00
- +
10g
97%
in stock  
$41.00
- +
25g
95%
in stock  
$95.00
- +
100g
95%
in stock  
$335.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HKX
Chemical Name:
1-Methyl-4-nitro-2-(trifluoromethyl)benzene
CAS Number:
89976-12-5
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD01631684
IUPAC Name:
1-methyl-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3
InChI Key:
SVQCVQCIZWSPPX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C
Properties
Computed Properties
 
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
89976-12-5 
2-Methyl-5-nitrobenzotrifluoride 
4-NITRO-2-TRIFLUOROMETHYLTOLUENE 
2-(TRIFLUOROMETHYL)-1-METHYL-4-NITROBENZENE 
PubChem4444 
PubChem15327 
AC1MCQ7Z 
KSC926I9R 
SCHEMBL589254 
CTK8C6498 
DTXSID90379550 
SVQCVQCIZWSPPX-UHFFFAOYSA-N 
1-methyl-4-nitro-2-(trifluoromethyl)benzene 
WT250 
ACT13131 
BCP05883 
ZINC2382388 
CL8839 
SBB093436 
AKOS003587370 
AM62311 
AN-1583 
AS01081 
4-Nitro-2-(trifluoromethyl)toluene 
CM13260 
CS-W004780 
QC-3918 
RP26139 
RTR-028221 
TRA0084857 
XF10105 
4-Methyl-3-(trifluoromethyl)nitrobenzene 
1-methyl-4-nitro-2-trifluormethylbenzene 
AC-23596 
2-(trifluoromethyl)-4-nitrotoluene 
AJ-34844 
AK-36805 
AS-18657 
BR-36805 
EN001889 
SC-27388 
SY014047 
1-Methyl-4-nitro-2-trifluoromethylbenzene 
AB0028112 
ST2415424 
1-Methyl-4-nitro-2-trifluoromethyl-benzene 
TC-060402 
1-Methyl-2-(trifluoromethyl)-4-nitrobenzene 
4CH-002951 
FT-0084529 
FT-0642152 
M2798 
X0141 
MFCD01631684 (98%) 
2-TRI FLUOROMETHYL-4-NITROMETHYLBENZENE 
A21488 
1-methyl-4-nitro-2-(trifluoromethyl)-benzene 
S-3010 
89976-12-5 2-methyl-5-nitrobenzotrifluoride 
976M125 
3-(TRIFLUOROMETHYL)-4-METHYL-1-NITROBENZENE 
I01-8861 
J-504953 
4-nitro-2-trifluorotoluene 
C8H6F3NO2 
ACN-050543 
CID2775447 
3-TRIFLUOROMETHYL-4-METHYLNITROBENZENE 
MFCD01631684 
BENZENE, 1-METHYL-4-NITRO-2-(TRIFLUOROMETHYL)- 
Literature
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