| CAS Number | 1391561-94-6 |
| Catalog Number | AG01DU4P |
| Chemical Name | (1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethan-1-amine hydrochloride |
| IUPAC Name | (1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride |
| InChI | InChI=1S/C8H7ClF3N.ClH/c9-6-3-1-2-5(4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H/t7-;/m1./s1 |
| InChI Key | LSFNVRBSWOHDHQ-OGFXRTJISA-N |
| MDL Number | MFCD12910554 |
| Molecular Formula | C8H8Cl2F3N |
| Molecular Weight | 246.0570 |
| SMILES | N[C@@H](C(F)(F)F)C1=CC=CC(Cl)=C1.[H]Cl |
| Synonyms | 1391561-94-6,
W-3876,
(R)-2,2,2-Trifluoro-1-(3-chloro-phenyl)-ethylamine hydrochloride,
(1R)-1-(3-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE,
1213627-66-7,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.054g/mol |
| Monoisotopic Mass | 244.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number