Home Amines 454-67-1
454-67-1,MFCD00061315
Catalog No.:AA003ITP
454-67-1 | 3-Amino-5-fluorobenzotrifluoride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$40.00   $28.00
- +
25g
98%
in stock  
$150.00   $105.00
- +
100g
98%
in stock  
$572.00   $400.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ITP
Chemical Name:
3-Amino-5-fluorobenzotrifluoride
CAS Number:
454-67-1
Molecular Formula:
C7H5F4N
Molecular Weight:
179.1149
MDL Number:
MFCD00061315
IUPAC Name:
3-fluoro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChI Key:
WQKQODZOQAFYPR-UHFFFAOYSA-N
SMILES:
Nc1cc(F)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.118g/mol
Monoisotopic Mass:
179.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3-Amino-5-fluorobenzotrifluoride 
454-67-1 
3-fluoro-5-(trifluoromethyl)phenylamine 
PubChem1541 
AC1MC4EA 
SCHEMBL131491 
CTK7D5856 
DTXSID30371018 
WQKQODZOQAFYPR-UHFFFAOYSA-N 
WT085 
ACT11501 
JRD-0038 
3-fluoro-5-(trifluoromethyl)aniline 
KS-00000F4O 
ZINC4240285 
CL8428 
PC1075 
SBB028382 
3-Fluoro-5-(trifluoromethyl)-aniline 
AKOS006229593 
AC-3697 
AN-6305 
AS04097 
3-fluoro-5-trifluoromethylaniline 
CM11491 
CS-W017289 
LF10033 
LS10448 
MCULE-3754555394 
PS-8551 
QC-9015 
RP24027 
3-amino-5-fluoro-trifluoromethylbenzene 
3-AMINO-5-FLUORO BENZOTRIFLUORIDE 
3-Fluoro-5-trifluoromethyl-phenylamine 
AJ-49260 
AK-35233 
BC218962 
BR-35233 
P784 
SC-04641 
SY038241 
AB0017206 
TC-050949 
TL8003154 
3-fluoro-5-trifluorobenzenamine 
454-67-1 3-amino-5-fluorobenzotrifluoride 
AM20060175 
FT-0615003 
ST24032584 
ST50827949 
MFCD00061315 (95%) 
3-FLUORO-5-(TRIFLUOROMETHYL)BENZENAMINE 
A19767 
C-5585 
3-Fluoro-5-(trifluoromethyl)aniline, AldrichCPR 
3-Fluoro-5-trifluoromethyl-aniline 
454A671 
J-511650 
C7H5F4N 
ZINC04240285 
ACN-055890 
CID2735913 
5-fluoro-3-(trifluoromethyl)aniline 
MFCD00061315 
Benzenamine, 3-fluoro-5-(trifluoromethyl)- 
Literature
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