Home Fluorides 85068-32-2
85068-32-2,MFCD00009904
Catalog No.:AA003IHG
85068-32-2 | 3,5-Bis(trifluoromethyl)phenylacetonitrile
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1g
95%
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$22.00   $15.00
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5g
95%
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$79.00   $55.00
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25g
95%
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$350.00   $245.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IHG
Chemical Name:
3,5-Bis(trifluoromethyl)phenylacetonitrile
CAS Number:
85068-32-2
Molecular Formula:
C10H5F6N
Molecular Weight:
253.1438
MDL Number:
MFCD00009904
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
InChI Key:
YXGWYBUKRTYHJM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
285-294-0
Properties
Computed Properties
 
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.033g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.147g/mol
Monoisotopic Mass:
253.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
85068-32-2 
3,5-Bis(trifluoromethyl)phenylacetonitrile 
YXGWYBUKRTYHJM-UHFFFAOYSA-N 
MFCD00009904 
3,5-bis(trifluoromethyl)benzylcyanide 
2-[3,5-bis(trifluoromethyl)phenyl]ethanenitrile 
EINECS 285-294-0 
PubChem2733 
AC1LCO2A 
ACMC-209q3p 
KSC495S7P 
SCHEMBL624792 
2-(3,5-bis(trifluoromethyl)phenyl)acetonitrile 
CTK3J5977 
KS-00000WFF 
DTXSID50234136 
PC3114G 
ZINC120203 
ZX-AP000534 
ANW-38099 
BBL101987 
SBB064121 
STL555784 
3,5-Bis(trifluoromethyl)benzyl Cyanide 
WT1762 
AKOS015852933 
AN-6199 
AS01677 
MCULE-1966018886 
PS-7441 
RTC-062357 
VZ25661 
3,5-di(trifluoro methyl)benzyl cyanide 
AC-13884 
2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile 
AJ-11675 
AK-53975 
CC-13383 
N656 
SY021815 
ZB004079 
3,5-bis-trifluoromethyl-phenylacetonitrile 
3,5-Bis(trifluoromethyl)benzeneacetonitrile 
AB0015948 
AX8012485 
3,5-di(trifluoromethyl)benzyl cyanide 
DB-021986 
TC-062357 
(3,5-bis-trifluoromethylphenyl)-acetonitrile 
B2911 
FT-0614472 
ST24027495 
ST50306982 
MFCD00009904 (95%) 
C-4833 
3,5-Bis(trifluoromethyl)phenylacetonitrile, 98% 
3,5-Bis(trifluoromethyl)-phenylacetonitrile 
068B322 
C-15639 
85068-32-2 3,5-di(trifluoromethyl)benzyl cyanide 
5-(Cyanomethyl)-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene 
3,5-Bis phenylacetonitrile 
C10H5F6N 
C10-H5-F6-N 
CID603657 
ZINC00120203 
D1164 
(3,5-Bis(trifluoromethyl)phenyl)acetonitrile 
3,5-Bis(trifluoromethyl)phenylacetonitrile, 97% - 1g 1g 
[3,5-bis(trifluoromethyl)phenyl]acetonitrile 
Benzeneacetonitrile, 3,5-bis(trifluoromethyl)- 
Literature

Title: Quinoacridine derivatives with one-dimensional aggregation-induced red emission property.

Journal: Langmuir : the ACS journal of surfaces and colloids 20120117

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