1,2-Dimethoxybenzene - CAS 91-16-7
Catalog: |
BB040065 |
Product Name: |
1,2-Dimethoxybenzene |
CAS: |
91-16-7 |
Synonyms: |
1,2-dimethoxybenzene |
IUPAC Name: | 1,2-dimethoxybenzene |
Description: | 1,2-Dimethoxybenzene (CAS# 91-16-7) is a useful research chemical compound. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | COC1=CC=CC=C1OC |
InChI: | InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3 |
InChI Key: | ABDKAPXRBAPSQN-UHFFFAOYSA-N |
Boiling Point: | 206-207 °C |
Melting Point: | 15°C |
Flash Point: | 87°C |
Density: | 1.08 g/cm3 |
Solubility: | water, 3666 mg/L @ 25 °C (est) |
Appearance: | Clear liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008357 |
LogP: | 1.70380 |
Refractive Index: | 1.533-1.535 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.47 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22967026 | 20121201 | Probing secondary glutaminyl cyclase (QC) inhibitor interactions applying an in silico-modeling/site-directed mutagenesis approach: implications for drug development | Chemical biology & drug design |
23125648 | 20121001 | (3,4-Dimeth-oxy-phen-yl)[2-(thio-phen-2-ylcarbon-yl)phen-yl]methanone | Acta crystallographica. Section E, Structure reports online |
23125757 | 20121001 | 2-(3,4-Dimeth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole | Acta crystallographica. Section E, Structure reports online |
22897232 | 20120918 | Crystal structures of glutaminyl cyclases (QCs) from Drosophila melanogaster reveal active site conservation between insect and mammalian QCs | Biochemistry |
22871061 | 20120901 | The constituents of essential oil: antimicrobial and antioxidant activity of Micromeria congesta Boiss. & Hausskn. ex Boiss. from East Anatolia | Journal of medicinal food |
Complexity: | 81.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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