Achemica | Switzerland | Inquire | ||
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+41 (24) 466-2929 | |||
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+1 (410) 633-5771 | |||
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Enamine Ltd. | Ukraine | Inquire | ||
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+380 (44) 537-3218 | |||
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enamine@enamine.net | |||
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+1 (650) 278-9963 | |||
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Matrix Scientific Inc. | USA | Inquire | ||
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+1 (803) 788-9494 | |||
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Oakwood Products, Inc. | USA | Inquire | ||
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+1 (800) 467-3386 | |||
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Rare Chemicals GmbH | Germany | Inquire | ||
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+49 (431) 5606-600 | |||
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info@rarechem.de | |||
Chemical manufacturer since 1997 | ||||
Name | (Trifluoromethyl)-Benzoic Acid |
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Synonyms | .Alpha.,.Alpha.,.Alpha.-Trifluoro-O-Toluic Acid; St5406430; Jrd-0667 |
Molecular Structure | ![]() |
Molecular Formula | C8H5F3O2 |
Molecular Weight | 190.12 |
CAS Registry Number | 71990-01-7 |
EINECS | 276-274-2 |
SMILES | C1=CC=CC(=C1C(F)(F)F)C(O)=O |
InChI | 1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
Density | 1.4±0.1g/cm3 (Cal.) |
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Melting point | 110°C (Expl.) |
Boiling point | 247°C (Expl.) |
243.7±40.0°C at 760 mmHg (Cal.) | |
Flash point | 101.2±27.3°C (Cal.) |
Safety Code | S26;S37 Details |
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Risk Code | R36/37/38 Details |
Hazard Symbol | ![]() |
Safety Description | WARNING: Irritates lungs, eyes, skin |
(1) | Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493 |
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Market Analysis Reports |
List of Reports Available for (Trifluoromethyl)-Benzoic Acid |