2,3-Dimethylbromobenzene
3-Bromo-o-xylene
CAS: 576-23-8
Molecular Formula: C8H9Br
2,3-Dimethylbromobenzene - Names and Identifiers
| Name | 3-Bromo-o-xylene |
| Synonyms | 3-BROMO-O-XYLENE 3-Bromo-o-xylene 3-bromo-ortho-xylene 3-Bromo-ortho-xylene 3-Bromo-1,2-dimethyL 2,3-Dimethylbromobenzene 2,3-DIMETHYLBROMOBENZENE 2,3-benzene,methyl bromide 3-BROMO-1,2-DIMETHYLBENZENE 3-Bromo-1,2-dimethylbenzene 1-BROMO-2,3-DIMETHYLBENZENE 2,3-Dimethyl-d6-bromobenzene |
| CAS | 576-23-8 |
| EINECS | 209-398-2 |
| InChI | InChI=1/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3 |
| InChIKey | WLPXNBYWDDYJTN-UHFFFAOYSA-N |
2,3-Dimethylbromobenzene - Physico-chemical Properties
| Molecular Formula | C8H9Br |
| Molar Mass | 185.06 |
| Density | 1.365g/mLat 25°C(lit.) |
| Melting Point | -20.49°C (estimate) |
| Boling Point | 214°C(lit.) |
| Flash Point | 177°F |
| Water Solubility | Not miscible or difficult to mix in water. |
| Vapor Presure | 0.27mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.365 |
| Color | Clear colorless |
| BRN | 2077312 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.560(lit.) |
| Physical and Chemical Properties | Relative density: 1.36 Boiling Point: 214 ℃ refractive index: 1.599-1.561 flash point: 80 ℃ |
2,3-Dimethylbromobenzene - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29039990 |
| Hazard Note | Irritant |
2,3-Dimethylbromobenzene - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | 2,3-dimethylbromobenzene is an organic chemical substance and a useful synthetic and pharmaceutical intermediate. It is used as a reagent for the synthesis of vannipvir. 2, 3-dimethylbromobenzene can also be used to synthesize various piperidine derivatives, such as 4-arylpiperidine and cinnamyl piperidine, 5-HT2C agonists and PAR1 antagonists, respectively. |
| Application example | 1. is used to synthesize veterinary drug anesthetic dipromididine hydrochloride 2. is used to synthesize medetomidine intermediate |
| production method | add 106g(1mol) of o-xylene and 107mL(1.97mol) of 98% concentrated sulfuric acid into a 3L four-mouth bottle equipped with stirring, reflux tube and thermometer, then stir and heat at 100 ℃ for reaction for 1.5h, and cool to room temperature. After adding 1500mL of water and stirring for dissolution, it was neutralized to pH 7 with 473g of alkali solution of hydrated barium hydroxide and 750mL of water under stirring. Filtering while hot, pouring the filtrate into a 3L three-mouth bottle, adding 192g(1.2mol) of bromine, 200g of barium bromide and 700mL of water at 50~60 ℃ under stirring, and stirring at 50~60 ℃ for 15h. Then cooling, filtering, washing with water 200mL × 2, vacuum drying, 3-bromo-o-xylene sulfonate barium salt about 231g, the yield is 69%. |
Last Update：2024-04-09 21:32:03
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