| CAS Number | 886370-54-3 |
| Catalog Number | AG019FWR(AGN-PC-0WCZ8T) |
| Chemical Name | 1-(2-Chlorophenyl)-2,2,2-trifluoroethanamine |
| IUPAC Name | 1-(2-chlorophenyl)-2,2,2-trifluoroethanamine |
| InChI | InChI=1S/C8H7ClF3N/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7H,13H2 |
| InChI Key | DLIXGNJUPCBBER-UHFFFAOYSA-N |
| MDL Number | MFCD07374772 |
| Molecular Formula | C8H7ClF3N |
| Molecular Weight | 209.5961 |
| SMILES | NC(C1=CC=CC=C1Cl)C(F)(F)F |
| Synonyms | 1-(2-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANAMINE,
886370-54-3,
1-(2-CHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE,
SCHEMBL18305993,
MFCD07374772,
AKOS015152587,
AB40366,
ST2401726,
1-(2-Chlorophenyl)-2,2,2-trifluoroethylamine,
1-(2-CHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-AMINE,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.596g/mol |
| Monoisotopic Mass | 209.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number