Methyl 5-chlorosalicylate - CAS 4068-78-4
Catalog: |
BB024619 |
Product Name: |
Methyl 5-chlorosalicylate |
CAS: |
4068-78-4 |
Synonyms: |
methyl 5-chloro-2-hydroxybenzoate |
IUPAC Name: | methyl 5-chloro-2-hydroxybenzoate |
Description: | Methyl 5-chlorosalicylate (CAS# 4068-78-4) is a useful research chemical. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)Cl)O |
InChI: | InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3 |
InChI Key: | KJWHRMZKJXOWFC-UHFFFAOYSA-N |
Boiling Point: | 260.5 °C at 760 mmHg |
Density: | 1.354 g/cm3 |
MDL: | MFCD00016461 |
LogP: | 1.83220 |
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 |
CN-112979571-A | AKR1C3 selective inhibitor, preparation method and application thereof | 20210224 |
WO-2021151104-A1 | Salicylamide derivatives and related methods of making | 20200126 |
WO-2021070893-A1 | Pharmaceutical composition including temperature-responsive ionic liquid | 20191011 |
CN-110563721-A | Preparation method of azasetron hydrochloride | 20190925 |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
PMID | Publication Date | Title | Journal |
21981047 | 20111101 | Methyl salicylate: a reactive chemical warfare agent surrogate to detect reaction with hypochlorite | ACS applied materials & interfaces |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
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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