3,5-Dimethoxybenzyl Bromide
1-(Bromomethyl)-3,5-dimethoxybenzene · 3,5-DIMETHOXYBENZYLBROMID · 3,5-Dimethoxybenzyl bromide · α-BroMo-3,5-diMethoxytoluene · 3,5-DimethoxybenzylBromide>3,5-Dimethoxybenzyl bromide, 98% · 3,5-Dimethoxybenzyl bromide 95+% · ALPHA-BROMO-3,5-DIMETHOXYTOLUENE · 3,5-Dimethoxybenzylamine Bromide
Identifiers & Physical Properties
| CAS No. | 877-88-3 |
|---|---|
| Molecular formula | C9H11BrO2 |
| Average molar mass | 231.09 g/mol |
| Monoisotopic mass | 229.99424169 g/mol |
| SMILES | COc1cc(CBr)cc(OC)c1 |
| InChIKey | BTHIGJGJAPYFSJ-UHFFFAOYSA-N |
| PubChem CID | 1274490 |
| EC No. | 618-071-7 |
| DTXSID | DTXSID20361564 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 118 |
| Melting point | 69-70 °C (lit.) |
| Boiling point | 292.1±25.0 °C(Predicted) |
| Density | 1.384±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | soluble in Methanol |
| Physical state | Crystalline Powder |
| Color | White to brown |
| InChI | InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3 |
| InChIKey | BTHIGJGJAPYFSJ-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC(OC)=CC(OC)=C1 |
| CAS DataBase Reference | 877-88-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-27-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29093090 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29093090 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-27-36/37/39-45 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
Applications & Uses
Uses
3,5-Dimethoxybenzyl bromide may be used in various organic synthesis such as 3,4,3′,5′-tetramethoxystilbene; 3,5-dimethoxyphenylacetic acid; 1-(3,5-dimethoxyphenyl)-4-pentene etc., and 3,5-Dimethoxybenzyl bromide may be used as starting material in the multi-step synthesis of resveratroland 3,5-dimethoxyhomophthalic acid.
Uses
3,5-DIMETHOXYBENZYL BROMIDE is used in dimethoxybenzene alkyl addition.
Uses
3,5-Dimethoxybenzyl bromide may be used in the synthesis of:3,4,3′,5′-tetramethoxystilbene3,5-dimethoxyphenylacetic acid1-(3,5-dimethoxyphenyl)-4-penteneIt may be used as starting material in the multi-step synthesis of resveratrol and 3,5-dimethoxyhomophthalic acid.
General Description
3,5-Dimethoxybenzyl bromide is an aromatic bromide.