2-(Chloromethyl)anisole - CAS 7035-02-1
Catalog: |
BB034134 |
Product Name: |
2-(Chloromethyl)anisole |
CAS: |
7035-02-1 |
Synonyms: |
1-(chloromethyl)-2-methoxybenzene; 1-(chloromethyl)-2-methoxybenzene |
IUPAC Name: | 1-(chloromethyl)-2-methoxybenzene |
Description: | 2-(Chloromethyl)anisole (CAS# 7035-02-1) is used in the synthesis of indole derivatives in the preparation of anti-cancer agents. Also used to synthesize potent and selective antagonists for the receptor CX3XR1 involved in the treatment of multiple sclerosis. |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | COC1=CC=CC=C1CCl |
InChI: | InChI=1S/C8H9ClO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3 |
InChI Key: | UAWVMPOAIVZWFQ-UHFFFAOYSA-N |
Boiling Point: | 122-124 °C (26 mmHg) |
Density: | 1.125 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00060276 |
LogP: | 2.43400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113248351-A | Preparation method of 6-chloro-2-methoxytoluene and synthetic process of methoxyfenozide | 20210526 |
CN-111646984-A | 1-tert-butyl-5-amino-4-pyrazole bis-1, 3, 4-oxadiazole thioether compound and application thereof | 20200420 |
JP-2021119131-A | Pharmaceutical composition containing a benzene derivative | 20200129 |
US-2021188827-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
WO-2021104486-A1 | Compound containing benzene ring and application thereof | 20191129 |
PMID | Publication Date | Title | Journal |
19105723 | 20090101 | Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound | Journal of combinatorial chemistry |
21200938 | 20071206 | 2-(2-Methoxy-phen-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 95.3 |
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: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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