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CAS NO.621-23-8
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| 1,3,5-Trimethoxybenzene Basic information |
| Product Name: | 1,3,5-Trimethoxybenzene |
| Synonyms: | PHLOROGLUCINOL TRIMETHYL ETHER;TRISMETHOXYBENZENE;1,3,5-trimethoxy-benzen;1,3,5-Trimethyoxybenzene;Benzene, 1,3,5-trimethoxy-;3,5-DIMETHOXYANISOLE;1,3,5-TRIMETHOXYBENZENE;1,3,5-Trimethoxybenzene/Phloroglucinol trimethyl ether |
| CAS: | 621-23-8 |
| MF: | C9H12O3 |
| MW: | 168.19 |
| EINECS: | 210-673-4 |
| Product Categories: | Aromatic Ethers;ACTIVE PHARMACEUTICAL INGREDIENTS;Benzene derivates |
| Mol File: | 621-23-8.mol |
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| 1,3,5-Trimethoxybenzene Chemical Properties |
| mp | 50-53 °C(lit.) |
| bp | 255 °C(lit.) |
| density | 1,126g/cm |
| refractive index | 1,533 |
| Fp | 186 °F |
| solubility | methanol: 0.1 g/mL, clear, colorless |
| Water Solubility | insoluble |
| BRN | 1307993 |
| CAS DataBase Reference | 621-23-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3,5-Trimethoxybenzene(621-23-8) |
| EPA Substance Registry System | Benzene, 1,3,5-trimethoxy-(621-23-8) |
| Safety Information |
| Hazard Codes | Xn,F |
| Risk Statements | 22-20/21/22 |
| Safety Statements | 24/25-36 |
| RIDADR | 1325 |
| WGK Germany | 3 |
| RTECS | DC2810000 |
| Hazard Note | Flammable Solid/Harmful |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 29093090 |
| Molecular Weight | 168.18978 g/mol |
|---|---|
| Molecular Formula | C9H12O3 |
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 168.078644 g/mol |
| Monoisotopic Mass | 168.078644 g/mol |
| Topological Polar Surface Area | 27.7 A^2 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 91.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |