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121-50-6,MFCD00007673
Catalog No.:AA003ISI
121-50-6 | 2-Chloro-5-trifluoromethylaniline
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Technical Information
Catalog Number:
AA003ISI
Chemical Name:
2-Chloro-5-trifluoromethylaniline
CAS Number:
121-50-6
Molecular Formula:
C7H5ClF3N
Molecular Weight:
195.5695
MDL Number:
MFCD00007673
IUPAC Name:
2-chloro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChI Key:
VKTTYIXIDXWHKW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1N)C(F)(F)F
EC Number:
204-475-7
NSC Number:
10318
Properties
Computed Properties
 
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.006g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.569g/mol
Monoisotopic Mass:
195.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3-Amino-4-chlorobenzotrifluoride 
121-50-6 
Diazo Fast Orange RD 
I01-6236 
W-108456 
2-Chloro-5-(trifluoromethyl)aniline, >=98.0% (GC) 
Z57117627 
6-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine 
F5608-0076 
3-Amino-4-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene 
InChI=1/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H 
C7H5ClF3N 
2,3-Difluorophenetole 
4-Chloro-3-aminobenzotrifluoride 
Color Index No. 37050 
Color Index Number 37050 
Colour Index No. 37050 
Colour Index Number 37050 
C7-H5-Cl-F3-N 
CID8475 
4-chloro-a,a,a-trifluoro-m-toluidine 
4-CHLOR-3-AMINOBENZOTRIFLUORIDE 
ACN-055893 
m-Toluidine,.alpha.,.alpha.-trifluoro- 
Fast Orange Salt RDA 
4-CHLORO-3-AMINO TRIFLUOROTOLUENE 
C.I.37050 
3-Amino-4-chlorobenzotrifluoride, 97% - 25G 25g 
121219-07-6 
Fast Orange Salt RDN 
Sanyo Fast Orange Salt RD 
Azoene Fast Orange RD Salt 
USAF MA-13 
Hiltosal Fast Orange RD Salt 
2-chloro-5-(trifluoromethyl)benzenamine 
6-Chloro-3-(trifluoromethyl)aniline 
2-Chloro-5-(trifluoromethyl)aniline 
C.I. 37050 
NSC 10318 
2-chloro-5-trifluoromethyl-phenylamine 
6-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine 
CCRIS 2816 
EINECS 204-475-7 
MFCD00007673 
BRN 0879910 
AI3-26183 
VKTTYIXIDXWHKW-UHFFFAOYSA-N 
Fast Orange RD Oil 
2-chloro-5-trifluoromethyl aniline 
3-Amino-4-chloro-alpha,alpha,alpha-trifluorotoluene 
3-AMINO-4-CHLOROTRIFLUOROTOLUENE 
m-TOLUIDINE, 6-CHLORO-alpha,alpha,alpha-TRIFLUORO- 
m-Toluidine, 6-chloro-.alpha.,.alpha.,.alpha.-trifluoro- 
2-chloro-5-(trifluoromethyl)phenylamine 
PubChem2273 
CI 37050 
ACMC-209abf 
WLN: ZR BG EXFFF 
2-Chloro-5-trifluoromethylaniline 
AC1L1R2P 
AC1Q50ZI 
4-12-00-01852 (Beilstein Handbook Reference) 
KSC174O4L 
SCHEMBL330390 
CHEMBL528932 
DTXSID1059525 
2-chloro-5-trifluoromethylanilin 
CTK0H4745 
KS-00000IPR 
Fast Orange Salt RD 
TIMTEC-BB SBB003593 
3-amino-4-chloro benzotrifluoride 
ZINC154669 
2-chloro-5-trifluoromethyl-aniline 
ACT11462 
NSC10318 
AKOS BBS-00000946 
ANW-17641 
LABOTEST-BB LT00053884 
LABOTEST-BB LT03333195 
Orange Salt NRD 
NSC-10318 
PC1060 
SBB003593 
STL281874 
6-chloro-a,a,a-trifluoro-m-toluidine 
AKOS000119306 
AC-3672 
AM61307 
AS04070 
CS-W010614 
Benzenamine, 2-chloro-5-(trifluoromethyl)- 
FR-0355 
HF10048 
MCULE-8073736783 
PS-8282 
RL00959 
RTR-003508 
TRA0094354 
VZ24275 
3-amino-4-chloro-a,a,a-trifluorotoluene 
AJ-13355 
Fast Orange RD Salt 
AK-33000 
AN-12730 
BR-33000 
CJ-01357 
ST082235 
ZB005852 
1-amino-2-chloro-5-trifluoromethylbenzene 
LS-154345 
TL8000574 
TR-003508 
Daito Orange Salt RD 
A0948 
A2560 
FT-0614971 
FT-0659290 
ST24027913 
B-6664 
6-Chloro-.alpha.,.alpha.-trifluoro-m-toluidine 
3-Amino-4-chloro-.alpha.,.alpha.-trifluorotoluene 
I01-0475 
I01-6196 
Literature

Title: 1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

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