4-Chloro-2-methylanisole - CAS 3260-85-3
Catalog: |
BB021345 |
Product Name: |
4-Chloro-2-methylanisole |
CAS: |
3260-85-3 |
Synonyms: |
4-chloro-1-methoxy-2-methylbenzene |
IUPAC Name: | 4-chloro-1-methoxy-2-methylbenzene |
Description: | 4-Chloro-2-methylanisole (CAS# 3260-85-3) is a useful research chemical. |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | CC1=C(C=CC(=C1)Cl)OC |
InChI: | InChI=1S/C8H9ClO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3 |
InChI Key: | VDYDAUQHTVCCBX-UHFFFAOYSA-N |
Boiling Point: | 104 °C / 20 mmHg |
Melting Point: | 32-35 °C |
Density: | 1.105 g/cm3 |
Appearance: | Crystalline mass |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00070771 |
LogP: | 2.65700 |
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-112979431-A | Process for preparing chlorobenzene | 20191217 |
US-2021154216-A1 | Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria | 20191121 |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
CN-112573978-A | High-efficiency halogenation synthesis method of aryl halide | 20190930 |
WO-2020210308-A1 | Small molecule inhibitors of galectin-3 | 20190410 |
PMID | Publication Date | Title | Journal |
16640329 | 20060504 | Orthogonal activation of the reengineered A3 adenosine receptor (neoceptor) using tailored nucleoside agonists | Journal of medicinal chemistry |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0341926 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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