3-Methoxybenzyl chloride - CAS 824-98-6
Catalog: |
BB036844 |
Product Name: |
3-Methoxybenzyl chloride |
CAS: |
824-98-6 |
Synonyms: |
1-(chloromethyl)-3-methoxybenzene |
IUPAC Name: | 1-(chloromethyl)-3-methoxybenzene |
Description: | 3-Methoxybenzyl chloride (CAS# 824-98-6) is a chemical reagent used to benzylate sugars (e.g. 2-Deoxy-D-ribose [D252000]) and also used to alkylate amides (e.g. Benzyl acetoacetic amide [B222950]). |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | COC1=CC=CC(=C1)CCl |
InChI: | InChI=1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3 |
InChI Key: | VGISFWWEOGVMED-UHFFFAOYSA-N |
Boiling Point: | 124 °C (13 mmHg) |
Melting Point: | 101.67 °C |
Purity: | 95 % |
Density: | 1.078 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Store at 0-5 °C |
MDL: | MFCD00000907 |
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 |
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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 |
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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