2-Bromo-4-methylanisole - CAS 22002-45-5
Catalog: |
BB017267 |
Product Name: |
2-Bromo-4-methylanisole |
CAS: |
22002-45-5 |
Synonyms: |
2-bromo-1-methoxy-4-methylbenzene |
IUPAC Name: | 2-bromo-1-methoxy-4-methylbenzene |
Description: | 2-Bromo-4-methylanisole (CAS# 22002-45-5) is a useful research chemical. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC1=CC(=C(C=C1)OC)Br |
InChI: | InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3 |
InChI Key: | DHPUIKWBNXTXOB-UHFFFAOYSA-N |
Boiling Point: | 124-125 °C / 20 mmHg (lit.) |
Purity: | 98 % |
Density: | 1.378 g/cm3 |
Appearance: | Clear colourless to light yellow liquid |
MDL: | MFCD00017783 |
LogP: | 2.76610 |
GHS Hazard Statement: | H315 (97.56%): 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-112390802-A | Pyrrolopyrazole derivative, preparation method and medical application thereof | 20190815 |
WO-2021017065-A1 | Pyrrolopyrazole derivatives, preparation method therefor and application thereof in medicine | 20190726 |
AU-2018332512-A1 | Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use | 20170914 |
CA-3074945-A1 | Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use | 20170914 |
US-2019077784-A1 | Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use | 20170914 |
PMID | Publication Date | Title | Journal |
14961644 | 20040219 | Total synthesis of (+/-)-herbertenolide by stereospecific formation of vicinal quaternary centers in a crystalline ketone | Organic letters |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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