6-BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
5-bromoisatoic anhydride
CAS: 4692-98-2
Molecular Formula: C8H4BrNO3
6-BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE - Names and Identifiers
| Name | 5-bromoisatoic anhydride |
| Synonyms | AKOS BBS-00002893 5-BROMOISATOIC ANHYDRIDE 5-bromoisatoic anhydride 5-Bromoisoatoic anhydride BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE 6-bromo-2H-3,1-benzoxazine-2,4(1H)-dione 6-BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE 6-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione 6-BROMO-1,2-DIHYDRO-4 H-3,1-BENZOXAZINE-2,4-DIONE 1-(2,4-dichlorobenzyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| CAS | 4692-98-2 |
| EINECS | 230-454-7 |
| InChI | InChI=1/C17H15Cl2NO/c18-14-9-8-13(15(19)10-14)11-20-16-6-2-1-4-12(16)5-3-7-17(20)21/h1-2,4,6,8-10H,3,5,7,11H2 |
6-BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE - Physico-chemical Properties
| Molecular Formula | C8H4BrNO3 |
| Molar Mass | 242.03 |
| Density | 1.826±0.06 g/cm3(Predicted) |
| Melting Point | 280-285 °C (dec.) (lit.) |
| Boling Point | 526.9°C at 760 mmHg |
| Flash Point | 272.4°C |
| Solubility | soluble in Dimethylformamide |
| Vapor Presure | 3.43E-11mmHg at 25°C |
| Appearance | White-like to light clear color powder |
| Color | White to Light yellow to Light orange |
| pKa | 9.81±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.62 |
| MDL | MFCD00016921 |
6-BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE - Risk and Safety
| Risk Codes | R61 - May cause harm to the unborn child R20/21 - Harmful by inhalation and in contact with skin. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S23 - Do not breathe vapour. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| WGK Germany | 3 |
| HS Code | 29349990 |
| Hazard Note | Irritant |
| Hazard Class | IRRITANT, IRRITANT-H |
6-BROMO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE - Reference Information
| application | 5-bromoindigo anhydride is an important chemical raw material and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process. |
| Preparation | The solution of 2-amino-5-bromo-benzoic acid (280g,1.3mol) in acetonitrile (1.3l) was heated to 50-55°C. Pyridine (206g,2.61mol) and triphosgene solution (128.8g,0.43mol) of dichloromethane (720ml) solution were added dropwise at the same time. After the addition is complete, stir the mixture at 50-55°C for another 2 hours. Remove the solvent under reduced pressure and add water. The sediment was filtered to collect, washed with water and cooled dichloromethane in sequence, and then dried in vacuum to obtain the desired product 6-bromo-1H-benzo [d] [1,3] oxazin-2, 4-dione (304g, yield 98%). |
Last Update：2024-04-10 22:29:15
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