Dibromo-4-nitrophenol, 2,6-
2,6-dibromo-4-nitrophenol
CAS: 99-28-5
Molecular Formula: C6H3Br2NO3
Dibromo-4-nitrophenol, 2,6- - Names and Identifiers
| Name | 2,6-dibromo-4-nitrophenol |
| Synonyms | NSC 2585 AI3-01539 BRN 1245050 2,6-DibroMo-4-nitrop 2,6-dibromo-4-nitrophenol 4-Nitro-2,6-dibromophenol 2,6-dibromo-4-nitro-pheno 2,6-Dibromo-4-nitrophenol 2,6-Dibromo-4-mitrophenol 2,6-DIBROMO-4-NITROPHENOL Dibromo-4-nitrophenol, 2,6- Phenol, 2,6-dibromo-4-nitro- 2,6-dibromo-4-nitrophenolate 4-06-00-01366 (Beilstein Handbook Reference) |
| CAS | 99-28-5 |
| EINECS | 202-744-3 |
| InChI | InChI=1/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H/p-1 |
| InChIKey | WBHYZUAQCSHXCT-UHFFFAOYSA-N |
Dibromo-4-nitrophenol, 2,6- - Physico-chemical Properties
| Molecular Formula | C6H3Br2NO3 |
| Molar Mass | 296.9 |
| Density | 2.3436 (rough estimate) |
| Melting Point | 145°C (dec.)(lit.) |
| Boling Point | 297.8±40.0 °C(Predicted) |
| Flash Point | 133.9°C |
| Vapor Presure | 0.000744mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Orange to Green |
| BRN | 1245050 |
| pKa | 3.67±0.44(Predicted) |
| Storage Condition | 2-8°C(protect from light) |
| Refractive Index | 1.6220 (estimate) |
| MDL | MFCD00007334 |
| Physical and Chemical Properties | Yellow columnar crystals. Melting point of 144 deg C, above 144 deg C decomposition. Soluble in ether, carbon disulfide, ethyl acetate, chloroform and hot alcohol, difficult to dissolve in benzene, acetic acid and petroleum ether, almost insoluble in water. Can volatilize with water vapor. |
Dibromo-4-nitrophenol, 2,6- - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - 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 - Wear suitable protective clothing. S37 - Wear suitable gloves. |
| WGK Germany | 3 |
| RTECS | SK8025000 |
| TSCA | Yes |
| HS Code | 29089990 |
Dibromo-4-nitrophenol, 2,6- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | as an intermediate in organic synthesis. |
| production method | obtained by bromination of p-nitrophenol. P-nitrophenol and glacial acetic acid were mixed and then stirred to dissolve all of them. A mixed solution of bromine and glacial acetic acid was slowly added at 20-25 ° C. For about 3 hours, and then stirred for 1 hour and kept at 85 ° C. For 1 hour. The bromine was condensed by pressure, precipitated by stirring with water, cooled for 6h, filtered, and the crystals were washed with 50% acetic acid, then washed with water and dried at 40-60 °c to give a crude product. The product was then recrystallized from acetic acid. |
Last Update：2024-04-09 21:01:54
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