Methyl 5-bromosalicylate - CAS 4068-76-2
Catalog: |
BB024618 |
Product Name: |
Methyl 5-bromosalicylate |
CAS: |
4068-76-2 |
Synonyms: |
methyl 5-bromo-2-hydroxybenzoate |
IUPAC Name: | methyl 5-bromo-2-hydroxybenzoate |
Description: | Methyl 5-bromosalicylate (CAS# 4068-76-2) is a useful research chemical. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)Br)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3 |
InChI Key: | FJYDBKPPGRZSOZ-UHFFFAOYSA-N |
Boiling Point: | 266.6 °C at 760 mmHg |
Density: | 1.627 g/cm3 |
MDL: | MFCD00016460 |
LogP: | 1.94130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021209473-A1 | Biphenyl derivatives | 20200416 |
WO-2021060281-A1 | Prostaglandin e2 receptor ep2/ep4 dual antagonist | 20190924 |
CN-110713676-A | Preparation process of wear-resistant power tube based on PVC material | 20190903 |
WO-2021032936-A1 | Enzyme inhibitors | 20190821 |
WO-2021032937-A1 | Enzyme inhibitors | 20190821 |
PMID | Publication Date | Title | Journal |
22590341 | 20120501 | Methyl 5-bromo-2-hy-droxy-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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