| CAS Number | 219534-99-3 |
| Catalog Number | AG006YG2(AGN-PC-0QYFJF) |
| Chemical Name | 5-bromo-4-(trifluoromethyl)-1H-imidazole |
| IUPAC Name | 4-bromo-5-(trifluoromethyl)-1H-imidazole |
| InChI | InChI=1S/C4H2BrF3N2/c5-3-2(4(6,7)8)9-1-10-3/h1H,(H,9,10) |
| InChI Key | BHAQQAXRVFYODC-UHFFFAOYSA-N |
| MDL Number | MFCD11977612 |
| Molecular Formula | C4H2BrF3N2 |
| Molecular Weight | 214.9713 |
| SMILES | FC(C1=C(Br)NC=N1)(F)F |
| Synonyms | 219534-99-3,
5-BROMO-4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE,
1H-Imidazole,5-bromo-4-(trifluoromethyl)-,
4-bromo-5-(trifluoromethyl)-1H-imidazole,
1H-Imidazole, 5-bromo-4-(trifluoromethyl)-,
CTK4E8025,
KS-00001ARF,
DTXSID30442757,
MFCD11977612,
ZINC39118848,
4-(Trifluoromethyl)-5-bromo-1H-imidazole,
5-bromo-4- -1H-imidazole,
CID10632443,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.973g/mol |
| Monoisotopic Mass | 213.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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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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Certificate of Analysis
Lot Number