3-Bromo-5-hydroxybenzoic acid - CAS 140472-69-1
Catalog: |
BB009078 |
Product Name: |
3-Bromo-5-hydroxybenzoic acid |
CAS: |
140472-69-1 |
Synonyms: |
3-bromo-5-hydroxybenzoic acid |
IUPAC Name: | 3-bromo-5-hydroxybenzoic acid |
Description: | 3-Bromo-5-hydroxybenzoic acid (CAS# 140472-69-1) is a useful research chemical. |
Molecular Weight: | 217.02 |
Molecular Formula: | C7H5BrO3 |
Canonical SMILES: | C1=C(C=C(C=C1O)Br)C(=O)O |
InChI: | InChI=1S/C7H5BrO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11) |
InChI Key: | WGIBEMRBLBGETQ-UHFFFAOYSA-N |
Boiling Point: | 388.1 °C at 760 mmHg |
Melting Point: | 237-241 °C |
Purity: | 98 % |
Density: | 1.861 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06797980 |
LogP: | 1.85290 |
GHS Hazard Statement: | H301 (95.24%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021165195-A1 | Heteroaryl-triazole compounds as pesticides | 20200218 |
CN-113082023-A | Pharmaceutical combination of P2X3 inhibitor and P2X4 inhibitor and application thereof | 20191223 |
WO-2021105091-A1 | Novel heteroaryl-triazole compounds as pesticides | 20191125 |
CN-110664793-A | Application of 3-hydroxy-5-substituted benzoic acid in preparing external medicine for treating eczema, dermatitis and psoriasis | 20191120 |
CN-110604702-A | Use of 3-hydroxy-5-substituted benzoic acids for the preparation of cosmetic or non-therapeutic skin treatment compositions | 20191023 |
PMID | Publication Date | Title | Journal |
21851057 | 20111013 | 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands | Journal of medicinal chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.94221 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.94221 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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