| CAS Number | 590371-93-0 |
| Catalog Number | AG00ED8D(AGN-PC-0NDMTR) |
| Chemical Name | 2-BROMO-3-(TRIFLUOROMETHYL)QUINOLINE |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H5ClF3N/c11-9-6-3-1-2-4-8(6)15-5-7(9)10(12,13)14/h1-5H |
| InChI Key | QLUSBWZTFPLCBU-UHFFFAOYSA-N |
| MDL Number | MFCD08741355 |
| Molecular Formula | C10H5ClF3N |
| Molecular Weight | 231.6016 |
| SMILES | FC(F)(F)c1cnc2ccccc2c1Cl |
| Synonyms | 4-chloro-3-(trifluoromethyl)quinoline,
590371-93-0,
CTK6G6262,
DTXSID50450137,
ZX-AP005445,
ANW-66275,
MFCD08741355,
SBB097815,
ZINC16159938,
AKOS016004636,
4-chloro-3-(trifluoromethyl)-quinoline,
AJ-68813,
AK-77527,
AS-30345,
QC-11503,
SC-26073,
AX8224180,
TC-155020,
ST24043576,
2-bromo-3-(trifluoromethyl)quinoline,
CID10966355,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.602g/mol |
| Monoisotopic Mass | 231.006g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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