Home Amines 49674-28-4
49674-28-4,MFCD09955455
Catalog No.:AA00DHSB
49674-28-4 | Benzonitrile, 3-amino-5-(trifluoromethyl)-
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250mg
98%
in stock  
$46.00
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1g
95%
in stock  
$113.00
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5g
95%
in stock  
$339.00
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10g
98%
in stock  
$570.00
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25g
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$1,349.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DHSB
Chemical Name:
Benzonitrile, 3-amino-5-(trifluoromethyl)-
CAS Number:
49674-28-4
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD09955455
IUPAC Name:
3-amino-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,13H2
InChI Key:
UMUDGXVSXIXLCF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-AMINO-5-(TRIFLUOROMETHYL)BENZONITRILE 
49674-28-4 
SCHEMBL324895 
CIS-(+)-HYDROXY LACTUM 
CTK4G5976 
KS-00000HUE 
UMUDGXVSXIXLCF-UHFFFAOYSA-N 
ANW-47050 
FCH878823 
MFCD09955455 
ZINC21981693 
trans-3-Amino-5-cyanobenzotrifluoride 
3-Amino-5-trifluoromethylbenzonitrile 
AKOS006311949 
AN-1593 
AS05792 
CM12942 
CS-W006032 
GS-3828 
MP-0149 
PC49080 
RP24608 
YF10055 
3-CYANO-5-AMINO-TRIFLUOROTOLUENE 
3-amino-5-(trifluoromethyl)-benzonitrile 
AJ-78893 
BC226742 
CJ-16993 
AB0025113 
AX8161296 
DB-024334 
DB-071029 
TC-135795 
4CH-002957 
Benzonitrile, 3-amino-5-(trifluoromethyl)- 
FT-0687064 
ST24028391 
W6521 
A21010 
AS-813/43501990 
I01-6740 
J-511659 
1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI) 
C8H5F3N2 
30825-34-4 
3-Amino-5-trifluoromethyl-benzonitrile 
ACN-050576 
trans-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 
3-Trifluoromethyl-5-amino benzonitrile 
3-AMINO-5-CYANOBENZOTRIFLUORIDE 
AK-34614 
3-AMINO-5-(TRIFLUOROMETHYL)BENZENECARBONITRILE 
Literature
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