Home Fluorides 368-77-4
368-77-4,MFCD00001807
Catalog No.:AA003I7Z
368-77-4 | 3-(Trifluoromethyl)benzonitrile
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25g
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$36.00   $25.00
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100g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I7Z
Chemical Name:
3-(Trifluoromethyl)benzonitrile
CAS Number:
368-77-4
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00001807
IUPAC Name:
3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChI Key:
OGOBINRVCUWLGN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(F)(F)F
EC Number:
206-711-4
UNII:
Y7ZD7DK3AY
NSC Number:
88314
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-(Trifluoromethyl)benzonitrile 
368-77-4 
EINECS 206-711-4 
MFCD00001807 
Y7ZD7DK3AY 
3-(Trifluoromehyl)benzonitrile 
m-(Trifluoromethyl)benzonitrile 
OGOBINRVCUWLGN-UHFFFAOYSA-N 
3-(trifluoromethyl)benzenecarbonitrile 
.alpha.,.alpha.,.alpha.-Trifluoro-m-tolunitrile 
ncr cxfff 
3-Trifluoromethylbenzonitrile (alpha,alpha,alpha-Trifluoro-m-tolunitrile) 
3-Cyanobenzotrifluoride 
NSC88314 
PubChem4828 
ACMC-1CKIO 
AC1L28BK 
AC1Q4JR4 
NCIOpen2_001287 
A,A,A-trifluor-M-tolunitril 
3-trifluoromethyl-benzonitrile 
KSC493C6J 
SCHEMBL440276 
m-Trifluoromethylbenzonitrile 
Jsp006557 
DTXSID4022026 
CTK3J3164 
ABLOCK AB-12-4747 
3-(CF3)-C6H4-CN 
HMS1760C17 
ZINC159801 
ACT12430 
JRD-0296 
KS-00000EE8 
3-Trifluoromethylbenzonitrile 
ANW-28514 
BBL011911 
NSC-88314 
SBB063128 
STL163421 
WT1797 
3-(Trifluoromethyl)benzonitrile, 99% 
AKOS000119995 
AC-4111 
AS01717 
Benzonitrile, 3-(trifluoromethyl)- 
CM13156 
MCULE-1095098105 
PS-8692 
RP23330 
RTC-010858 
TF10173 
TRA0042898 
VZ26727 
368-77-4 3-trifluoromethylbenzonitrile 
AJ-15531 
alpha,alpha,alpha-Trifluoro-m-tolunitrile 
AK-53632 
AN-12306 
BR-53632 
CJ-01902 
SC-03911 
ZB007289 
AB0011717 
DB-023946 
LS-184873 
TC-010858 
a,a,a-trifluoro-m-tolunitrile 
TL8002724 
AM20040296 
CS-0059154 
FT-0613932 
FT-0615554 
ST24028369 
ST50406739 
M-6226 
I01-0506 
W-106582 
UNII-Y7ZD7DK3AY 
F0001-1058 
InChI=1/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4 
3- benzonitrile 
C8H4F3N 
C8-H4-F3-N 
CID67783 
AR-1K6619 
c1003 
ACN-055970 
A1665 
alpha,alpha,alpha-Trifluoro-m-toluonitrile 
3-(Trifluoromethyl)benzonitrile, 97% - 100G 100g 
4849-33-6 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Direct quantitative determination of cyanamide by stable isotope dilution gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20051209

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