| Identification | More | [Name]
5-Bromo-2,2-difluorobenzodioxole | [CAS]
33070-32-5 | [Synonyms]
5-BROMO-2,2-DIFLUORO-1,3-BENZODIOXOLE
5-BROMO-2,2-DIFLUORO-BENZO[1,3]DIOXOLE
5-BROMO-2,2-DIFLUOROBENZODIOXOLE
4-Bromo-1,2-[(difluoromethylene)dioxy]benzene~3,4-[(Difluoromethylene)dioxy]bromobenzene
5-Bromo-2,2-difluoro-1,3-benzodioxole, 97+%
3,4-[(difluoromethylene)dioxy]bromobenzene
4-bromo-1,2-[(difluoromethylene)dioxy]benzene
5-Bromo-2,2-difluoro-1,3-benzodioxole 98%
5-Bromo-2,2-difluoro-1,3-benzodioxole98% | [EINECS(EC#)]
202-303-5 | [Molecular Formula]
C7H3BrF2O2 | [MDL Number]
MFCD00236212 | [Molecular Weight]
237 | [MOL File]
33070-32-5.mol |
| Chemical Properties | Back Directory | [Boiling point ]
78-79°C 20mm | [density ]
1,74 g/cm3 | [refractive index ]
1.4967 | [Fp ]
>75°C | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Miscible with hexane. | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [BRN ]
1425209 | [InChI]
InChI=1S/C7H3BrF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H | [InChIKey]
SZRHWHHXVXSGMT-UHFFFAOYSA-N | [SMILES]
O1C2=CC=C(Br)C=C2OC1(F)F | [CAS DataBase Reference]
33070-32-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes.
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
WGK 3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2934999090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Chronic 2 |
| Hazard Information | Back Directory | [Uses]
5-Bromo-2,2-difluoro-1,3- benzodioxole is used as a precursor in organic synthesis. It is used to prepare 5-bromo-2,2-difluoro-1,3-benzodioxole-4-carboxylic acid. It serves as an intermediate in active pharmaceutical ingredients, agrochemicals and in dyestuff field. | [Synthesis]
General procedure for the synthesis of 2,2-difluoro-5-bromo-1,3-benzodioxole from 2,2-difluoro-1,3-benzodioxole: In a 1000 mL round-bottomed flask fitted with a mechanical stirrer, a reflux condenser, and a pressure-equilibrium charging funnel, 2,2-difluoro-1,3-benzodioxole (200 g, 1.27 mol) and water (456 g, 25.3 mol). Bromine (284 g, 1.77 mol) was added dropwise at 25 °C for 1 hour. The temperature of the reaction mixture was increased from 25 °C to 85 °C during the dropwise addition. The reaction mixture was kept at 85 °C for 8 h. The reaction process was monitored by liquid chromatography. After completion of the reaction, the reaction mixture was cooled to 25°C. The organic and aqueous layers were separated, and the organic layer was washed sequentially with sodium bisulfite solution and sodium bicarbonate solution to obtain the crude product of 2,2-difluoro-5-bromo-1,3-benzodioxole. The crude product was purified by vacuum distillation. Yield: 80%; purity: 99.8% (determined by liquid chromatography). | [References]
[1] Patent: WO2017/46816, 2017, A2. Location in patent: Page/Page column 9-10
[2] Patent: EP1595877, 2005, A1. Location in patent: Page/Page column 4
[3] European Journal of Organic Chemistry, 2004, # 1, p. 64 - 68
[4] Patent: WO2016/38627, 2016, A1. Location in patent: Page/Page column 4 |
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