Methyl 4-bromo-3-methylbenzoate - CAS 148547-19-7
Catalog: |
BB010320 |
Product Name: |
Methyl 4-bromo-3-methylbenzoate |
CAS: |
148547-19-7 |
Synonyms: |
methyl 4-bromo-3-methylbenzoate |
IUPAC Name: | methyl 4-bromo-3-methylbenzoate |
Description: | Methyl 4-bromo-3-methylbenzoate (CAS# 148547-19-7) is a useful research chemical and a starting material for organic synthesis of martinellic acids and derivatives. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)OC)Br |
InChI: | InChI=1S/C9H9BrO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3 |
InChI Key: | GTZTYNPAPQKIIR-UHFFFAOYSA-N |
Boiling Point: | 287.4 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.433 g/cm3 |
MDL: | MFCD00673014 |
LogP: | 2.54410 |
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-2021174046-A1 | Gpr40 agonists | 20200228 |
WO-2021161105-A1 | P2x3 modulators | 20200214 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
WO-2021078023-A1 | Small molecule compound | 20191024 |
WO-2020242943-A1 | Gpr40 agonists | 20190529 |
PMID | Publication Date | Title | Journal |
18473441 | 20080620 | Total synthesis of (-)-martinellic acid via radical addition-cyclization-elimination reaction | The Journal of organic chemistry |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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