| CAS Number | 366008-67-5 |
| Catalog Number | AG01EFM3(AGN-PC-0D2QY5) |
| Chemical Name | 2,5-Bis(trifluoromethyl)terephthalic acid |
| IUPAC Name | 2,5-bis(trifluoromethyl)terephthalic acid |
| InChI | InChI=1S/C10H4F6O4/c11-9(12,13)5-1-3(7(17)18)6(10(14,15)16)2-4(5)8(19)20/h1-2H,(H,17,18)(H,19,20) |
| InChI Key | YIAGLTIEICXRQF-UHFFFAOYSA-N |
| MDL Number | MFCD32206254 |
| Molecular Formula | C10H4F6O4 |
| Molecular Weight | 302.1268 |
| SMILES | FC(C1=C(C(=O)O)C=C(C(=C1)C(=O)O)C(F)(F)F)(F)F |
| Synonyms | 2,5-bis(trifluoromethyl)terephthalic acid,
366008-67-5,
SCHEMBL3036944,
CTK1A9968,
DTXSID70732705,
2,5-Bis(trifluoromethyl)benzene-1,4-dicarboxylic acid,
1,4-Benzenedicarboxylic acid, 2,5-bis(trifluoromethyl)-,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.128g/mol |
| Monoisotopic Mass | 302.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number