| Identification | More | [Name]
3-Bromo-5-(trifluoromethyl)benzoic acid | [CAS]
328-67-6 | [Synonyms]
3-BROMO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Bromotrifluoromethylbenzoic acid | [Molecular Formula]
C8H4BrF3O2 | [MDL Number]
MFCD03412186 | [Molecular Weight]
269.02 | [MOL File]
328-67-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
132.3-132.8 | [Boiling point ]
284.3±40.0 °C(Predicted) | [density ]
1.773±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
3.38±0.10(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C8H4BrF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14) | [InChIKey]
AMZBKZQMAZWIJM-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(C(F)(F)F)=CC(Br)=C1 | [CAS DataBase Reference]
328-67-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
Solid | [Synthesis]
a) Synthesis of 3-bromo-5-trifluoromethylbenzoic acid (Compound 1.2): 36N sulfuric acid (1.5 mL) and N-bromosuccinimide (NBS, 2.75 g, 15.0 mmol) were sequentially added to a solution of trifluoroacetic acid (TFA, 5 mL) of 3-trifluoromethylbenzoic acid (1.90 g, 10.0 mmol) at room temperature. The reaction mixture was stirred for 30 min and then poured into water (200 mL) under vigorous stirring. The resulting suspension was filtered and the solid product was washed with water and dried to give the target compound 1.2 (2.45 g, 90% yield). | [References]
[1] Patent: US2006/69261, 2006, A1. Location in patent: Page/Page column 18 |
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