HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3673481Generated: October 27, 2026
4-(4-(Trifluoromethyl)phenoxy)benzoic acid
4-[4-(TRIFLUROMETHYL)PHENOXY]BENZOIC ACID · 4-[4-(Trifluoromethyl)phenoxy]benzoic acid · Benzoic acid, 4-[4-(trifluoromethyl)phenoxy]-
https://huagongshe.com/en/chemical/3673481
Identifiers & Physical Properties
| CAS No. | 78161-82-7 |
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| Molecular formula | C14H9F3O3 |
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| Average molar mass | 282.21 g/mol |
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| Monoisotopic mass | 282.05037881 g/mol |
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| SMILES | O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 |
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| InChIKey | REDYCJOUKXVWEZ-UHFFFAOYSA-N |
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| PubChem CID | 3673481 |
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| EC No. | 880-817-4 |
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| DTXSID | DTXSID20394897 |
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Chemical & Physical Properties
| XLogP | 4.6 |
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| Topological polar surface area | 46.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 327 |
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| Boiling point | 367.1±42.0 °C(Predicted) |
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| Density | 1.369±0.06 g/cm3(Predicted) |
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| Storage conditions | Storage temp. 2-8°C |
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| pKa (acidity coefficient) | 4.22±0.10(Predicted) |
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| Appearance | White to off-white Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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