3,4,5-Trimethoxybenzyl chloride - CAS 3840-30-0
Catalog: |
BB023661 |
Product Name: |
3,4,5-Trimethoxybenzyl chloride |
CAS: |
3840-30-0 |
Synonyms: |
5-(chloromethyl)-1,2,3-trimethoxybenzene |
IUPAC Name: | 5-(chloromethyl)-1,2,3-trimethoxybenzene |
Description: | 3,4,5-Trimethoxybenzyl chloride (CAS# 3840-30-0) is a useful research chemical. |
Molecular Weight: | 216.66 |
Molecular Formula: | C10H13ClO3 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)CCl |
InChI: | InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3 |
InChI Key: | XXRUQNNAKXZSOS-UHFFFAOYSA-N |
Boiling Point: | 295.2 °C at 760 mmHg |
Melting Point: | 60-63 °C |
Purity: | 97 % |
Density: | 1.145 g/cm3 |
Appearance: | White solid |
Storage: | 2-8 °C |
MDL: | MFCD00040716 |
LogP: | 2.45120 |
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-112538025-A | Preparation method of fluorine-containing compound for hydrophobic surface treatment agent | 20201208 |
KR-20210085369-A | 1,2,3-Triazole Derivative Compounds as HSP90 Inhibitor, and the Use Thereof | 20191230 |
WO-2021137665-A1 | 1, 2, 3-triazole derivative compound as hsp90 inhibitor, and use thereof | 20191230 |
WO-2021038452-A1 | New therapeutic agents for the treatment of haematological pathologies | 20190826 |
CN-111164074-A | Heat shock protein 90 inhibitor | 20170320 |
PMID | Publication Date | Title | Journal |
21201090 | 20080906 | Triphenyl(3,4,5-trimethoxy-benzyl)-phospho-nium chloride monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0553220 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0553220 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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