3-Bromo-2-chlorophenol
- CAS NO.:863870-87-5
- Empirical Formula: C6H4BrClO
- Molecular Weight: 207.45
- MDL number: MFCD08166321
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-07 15:43:52
What is 3-Bromo-2-chlorophenol?
Synthesis
326.4 g (2.04 moles) of bromine is added dropwise in 6 hours with vigorous stirring, within a temperature range of between 20° and 45° C., to a mixture of 257.2 g (2 moles) of 2-chlorophenol, 1.0 g of zinc chloride and 1.0 g of diphenyl sulfide. After adding 70 ml of bromine, the temperature rises to 35° C. To avoid crystallization, the reaction mixture is afterwardheated to 40° C., Afterward, 20 ml of bromine is added dropwise. The remaining bromine is finally added at 45° C. After the addition of bromine is complete, stirring is maintained for 30 minutes at 50° C., and subsequently, the reaction product is freed at 60° C. under reduced pressure from dissolved hydrogen bromide to leave 414.5 g (99.8% of theory) of chlorobromophenol(3-Bromo-2-chlorophenol).
Properties of 3-Bromo-2-chlorophenol
Melting point: | 60 °C |
Boiling point: | 246.1±20.0 °C(Predicted) |
Density | 1.788±0.06 g/cm3(Predicted) |
storage temp. | Inert atmosphere,Room Temperature |
pka | 7.53±0.10(Predicted) |
InChI | InChI=1S/C6H4BrClO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H |
Safety information for 3-Bromo-2-chlorophenol
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Bromo-2-chlorophenol
InChIKey | DUKKNDLIWRYBCT-UHFFFAOYSA-N |
SMILES | C1(O)=CC=CC(Br)=C1Cl |
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