IUPAC Name: | 3-bromo-2-methylbenzoic acid |
Description: | 3-Bromo-2-methylbenzoic acid (CAS# 76006-33-2) is a disubstituted benzoic acid used in the preparation of various biologically active compounds such as α-2 adrenoceptor agonists, Smootherned receptor anatogonists and HIV-1 entry inhibitors. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | CC1=C(C=CC=C1Br)C(=O)O |
InChI: | InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | BJGKVCKGUBYULR-UHFFFAOYSA-N |
Boiling Point: | 316.1 ℃ at 760 mmHg |
Melting Point: | 152-156 ℃ |
Purity: | 98 % |
Density: | 1.599 g/cm3 |
Appearance: | White to orange or brown powder |
Storage: | Room temperature. |
MDL: | MFCD00270097 |
LogP: | 2.45570 |
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