Methyl 2,4-dihydroxybenzoate - CAS 2150-47-2
Catalog: |
BB016924 |
Product Name: |
Methyl 2,4-dihydroxybenzoate |
CAS: |
2150-47-2 |
Synonyms: |
methyl 2,4-dihydroxybenzoate |
IUPAC Name: | methyl 2,4-dihydroxybenzoate |
Description: | Methyl 2,4-dihydroxybenzoate (CAS# 2150-47-2) is a building block used for the synthesis of different pharmaceutical compounds. It can be used for the synthesis of series of CCR1 antagonists based upon spirocyclic compounds. |
Molecular Weight: | 168.15 |
Molecular Formula: | C8H8O4 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)O)O |
InChI: | InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3 |
InChI Key: | IIFCLXHRIYTHPV-UHFFFAOYSA-N |
Boiling Point: | 352 °C at 760 mmHg |
Melting Point: | 116-121 °C |
Purity: | 95 % |
Density: | 1.354 g/cm3 |
Appearance: | White to beige powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00002276 |
LogP: | 0.88440 |
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 |
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PMID | Publication Date | Title | Journal |
22939339 | 20121015 | Synthesis of organosoluble chitosan derivatives with polyphenolic side chains | Carbohydrate polymers |
19399250 | 20090301 | In vitro models in biocompatibility assessment for biomedical-grade chitosan derivatives in wound management | International journal of molecular sciences |
17553738 | 20080201 | DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2,4-dihydroxy benzoic acids | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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