Home Fluorides 101066-87-9
101066-87-9,MFCD08458091
Catalog No.:AA0003KQ
101066-87-9 | 4-Iodo-2-(trifluoromethyl)benzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week  
$98.00   $68.00
- +
5g
1 week  
$115.00   $80.00
- +
25g
1 week  
$200.00   $140.00
- +
100g
97%
1 week  
$625.00   $438.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0003KQ
Chemical Name:
4-Iodo-2-(trifluoromethyl)benzonitrile
CAS Number:
101066-87-9
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
MDL Number:
MFCD08458091
IUPAC Name:
4-iodo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3IN/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3H
InChI Key:
RBRTXKYFMXVIER-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)I
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.926g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.019g/mol
Monoisotopic Mass:
296.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
4-Iodo-2-(trifluoromethyl)benzonitrile 
101066-87-9 
4-iodo-2-(trifluoromethyl)benzenecarbonitrile 
PubChem4810 
ACMC-1BQW7 
KSC494M4B 
SCHEMBL1643378 
CTK3J4640 
DTXSID10584886 
RBRTXKYFMXVIER-UHFFFAOYSA-N 
ACT12414 
KS-00000O5L 
2-Cyano-5-iodobenzotrifluoride 
ZX-AP003766 
2-trifluoromethyl-4-iodobenzonitrile 
0328AA 
ANW-44732 
CI-249 
DT1015 
PC2697 
SBB055284 
WT1508 
ZINC12957480 
benzonitrile, 4-iodo-2-(trifluoromethyl)- 
AKOS005063983 
AC-4099 
AF11053 
AM61278 
AS01703 
CS-W008365 
FCH1389008 
PS-7152 
QC-7720 
RTC-071365 
2-(trifluoromethyl)-4-iodobenzonitrile 
TF10206 
TRA0100649 
AJ-63291 
AN-12294 
BC686492 
CJ-14282 
AB0061267 
AX8098058 
ST2405841 
TC-071365 
4-Cyano-3-(trifluoromethyl)iodobenzene 
FT-0653797 
FT-0701347 
I1018 
TL80090330 
4-Iodo-2-(trifluoromethyl)benzonitrile, 97% 
K-0208 
066I879 
I01-2344 
J-000317 
101066-87-9 2-(trifluoromethyl)-4-iodobenzonitrile 
4-Cyano-3-trifluoromethyl-1-iodobenzene 
C8H3F3IN 
A1469 
4-iodo-2-trifluoromethylbenzonitrile 
MFCD08458091 
AK-47693 
Literature
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