HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,7-Dimethoxynaphthalene
2,7-Dimethoxy · 2,7-Dimethoxyphthalene · 7-Dimethoxynaphthalene · 2,7-Dimethoxynaphthalin · 2,7-DIMETHOXYNAPHTHALENE · 2,7-DimethoxylNaphthalene · Naphthalene, 2,7-dimethoxy- · 2,7-Dimethoxynaphthalene>2,7- twoMethoxy naphthalene
Identifiers & Physical Properties
| CAS No. | 3469-26-9 |
|---|---|
| Molecular formula | C12H12O2 |
| Average molar mass | 188.22 g/mol |
| Monoisotopic mass | 188.08372962 g/mol |
| SMILES | COc1ccc2ccc(OC)cc2c1 |
| InChIKey | PPKHAIRFQKFMLE-UHFFFAOYSA-N |
| PubChem CID | 77021 |
| EC No. | 222-433-6 |
| DTXSID | DTXSID70188243 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 163 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Melting point | 137-139 °C (lit.) |
| Boiling point | 283.23°C (rough estimate) |
| Density | 1.0750 (rough estimate) |
| Refractive index | 1.6010 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | powder to crystal |
| Color | White to Orange to Green |
| InChI | InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3 |
| InChIKey | PPKHAIRFQKFMLE-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=CC(OC)=C2)=CC=C1OC |
| CAS DataBase Reference | 3469-26-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Naphthalene, 2,7-dimethoxy-(3469-26-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39-24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29093090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29093090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39-24/25 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2,7-Dimethoxynaphthalene was employed as matrix to investigate the structure of polymetallic porphyrins via matrix-assisted laser desorption/ionization. It was also used in the synthesis of:peri-aroylnaphthalene compounds via elective electrophilic aromatic aroylation2-amino-1,2,3,4-tetrahydronaphthalene-6,7-diol