2,7-Dimethoxynaphthalene - CAS 3469-26-9
Catalog: |
BB022242 |
Product Name: |
2,7-Dimethoxynaphthalene |
CAS: |
3469-26-9 |
Synonyms: |
Naphthalene, 2,7-dimethoxy-; NSC 28991 |
IUPAC Name: | 2,7-dimethoxynaphthalene |
Molecular Weight: | 188.22 |
Molecular Formula: | C12H12O2 |
Canonical SMILES: | COC1=CC2=C(C=C1)C=CC(=C2)OC |
InChI: | InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3 |
InChI Key: | PPKHAIRFQKFMLE-UHFFFAOYSA-N |
Boiling Point: | 185-195°C |
Melting Point: | 138°C |
Purity: | ≥95% |
Density: | 1.097±0.06 g/cm3 |
Solubility: | Soluble in Ethanol |
Appearance: | White to Orange to Green Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00004064 |
LogP: | 2.85700 |
GHS Hazard Statement: | H315 (100%): 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 |
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PMID | Publication Date | Title | Journal |
22969551 | 20120901 | (3,6-Dimeth-oxy-naphthalen-2-yl)(naphthalen-2-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22905018 | 20120801 | 2,7-Dimeth-oxy-1-(2-naphtho-yl)naph-thalene | Acta crystallographica. Section E, Structure reports online |
22606140 | 20120401 | (3,5-Dimethyl-phen-yl)[8-(3,5-dimethyl-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl]methanone | Acta crystallographica. Section E, Structure reports online |
22412752 | 20120301 | [8-(4-Chloro-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl](2,4,6-trimethyl-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22259511 | 20120101 | [2,7-Dimeth-oxy-8-(2,4,6-trimethyl-benzo-yl)naphthalen-1-yl](2,4,6-trimethyl-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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