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2-Chloro-5-(Trifluoromethyl)Aniline
CAS: 121-50-6 | C7H5ClF3N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
121-50-6
Molecular Formula:
C7H5ClF3N
Molecular Mass:
195.57 g/mol
Names and Synonyms:
2-Chloro-5-(Trifluoromethyl)Aniline
Benzenamine, 2-chloro-5-(trifluoromethyl)-
m-Toluidine, 6-chloro-α,α,α-trifluoro-
2-Chloro-5-(trifluoromethyl)benzenamine
3-Amino-4-chlorobenzotrifluoride
3-Amino-4-chloro-α,α,α-trifluorotoluene
Azoene Fast Orange RD Salt
4-Chloro-3-aminobenzotrifluoride
2-Chloro-5-(trifluoromethyl)aniline
6-Chloro-α,α,α-trifluoro-m-toluidine
Daito Orange Salt RD
Fast Orange RD Salt
Fast Orange Salt RD
Fast Orange Salt RDA
Fast Orange Salt RDN
Hiltosal Fast Orange RD Salt
Orange Salt NRD
Sanyo Fast Orange Salt RD
α,α,α-Trifluoro-6-chloro-m-toluidine
6-Chloro-3-(trifluoromethyl)aniline
NSC 10318
(2-Chloro-5-trifluoromethylphenyl)amine
1-Amino-2-chloro-5-trifluoromethylbenzene
Identifiers:
SMILES:
Nc1cc(C(F)(F)F)ccc1Cl
InChI:
InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
Key Properties
Boiling Point
82-83 °C @ Press: 9-10 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.57 g/mol | CAS Common Chemistry |
| 195.57100000000003 g/mol | RDKit | |
| 195.0062615 g/mol | RDKit | |
| Boiling Point | 82-83 °C @ Press: 9-10 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C1=CC=C(Cl)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VKTTYIXIDXWHKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-5-(trifluoromethyl)aniline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.9410000000000007 | RDKit |
| Molar Refractivity | 40.866400000000006 | RDKit |
