| CAS Number | 1412904-86-9 |
| Catalog Number | AG009YB0(AGN-PC-0WCXQO) |
| Chemical Name | 4-Iodo-3-(trifluoromethyl)pyridine |
| IUPAC Name | 4-iodo-3-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H3F3IN/c7-6(8,9)4-3-11-2-1-5(4)10/h1-3H |
| InChI Key | SYAWHDBSDQNOJT-UHFFFAOYSA-N |
| MDL Number | MFCD26516644 |
| Molecular Formula | C6H3F3IN |
| Molecular Weight | 272.9944 |
| SMILES | C(F)(F)(F)c1c(I)ccnc1 |
| Synonyms | 4-iodo-3-(trifluoromethyl)pyridine,
1412904-86-9,
3-(TrifluoroMethyl)-4-iodopyridine,
SCHEMBL5700139,
MFCD26516644,
ZINC141932861,
Pyridine, 4-iodo-3-(trifluoromethyl)-,
AS-54461,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.997g/mol |
| Monoisotopic Mass | 272.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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