1,3-Dibromobenzene #CAS108-36-1
CAS Number:108-36-1
Chemical Formula:C6H4Br2
Synonyms:
Benzene, m-dibromo-
1,3-Dibromobenzene97%
META-DIBROMOBENZENE
Appearance:Clear Colorless To Light Yellow Liquid
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
1,3-Dibromobenzene #CAS108-36-1
1,3-Dibromobenzene undergoes solid-supported [KF-Al2O3] palladium-catalyzed polyarylation reaction with phenyl boronic acid under microwave irradiation to yield conjugated polyaryls.
1,3-Dibromobenzene, also known as m-dibromobenzene, is one of the three isomers of dibromobenzene, with the molecular formula C6H4Br2. It is a colorless liquid at room temperature and pressure. 1,3-Dibromobenzene can be prepared by diazotizing 3-bromoaniline and then reacting it with cuprous bromide in a Sandmeier reaction.
Application of 1,3-Dibromobenzene
1,3-Dibromobenzene is used in Suzuki coupling reaction for the preparation of [n]metacyclophanes. It is used to prepare 5-(3-bromo-phenyl)-2,4-di-tert-butoxy-pyrimidine using Pd(0) (PPh3)4 as a reagent. Further, it undergoes solid-supported potassium fluoride-aluminum oxide palladium-catalyzed polyarylation reaction with phenyl boronic acid to get conjugated polyaryls.
| 1,3-Dibromobenzene Basic information |
| Product Name: | 1,3-Dibromobenzene |
| Synonyms: | 1,3-dibromo-benzen;Benzene, m-dibromo-;Benzene,1,3-dibromo-;m-dibromo-benzen;1,3-DIBROMOBENZENE;META-DIBROMOBENZENE;1,3-Dibromobenzene97%;1,3- Dibromo Benzene CAS No 108-36-1 |
| CAS: | 108-36-1 |
| MF: | C6H4Br2 |
| MW: | 235.9 |
| EINECS: | 203-574-2 |
| Product Categories: | alkyl bromide;Bromine Compounds;Benzene derivates;Aryl;C6;Halogenated Hydrocarbons |
| Mol File: | 108-36-1.mol |
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| 1,3-Dibromobenzene Chemical Properties |
| Melting point | -7 °C (lit.) |
| Boiling point | 218-219 °C (lit.) |
| density | 1.952 g/mL at 25 °C (lit.) |
| vapor density | 8.16 (vs air) |
| vapor pressure | 5 mm Hg ( 66 °C) |
| refractive index | n |
| Fp | 201 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.068g/l |
| form | Liquid |
| Specific Gravity | 1.952 |
| color | Clear colorless to light yellow |
| Water Solubility | insoluble |
| BRN | 1904538 |
| Henry's Law Constant | 1.2×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 5.0 |
| InChI | 1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H |
| InChIKey | JSRLURSZEMLAFO-UHFFFAOYSA-N |
| SMILES | Brc1cccc(Br)c1 |
| CAS DataBase Reference | 108-36-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1,3-dibromo-(108-36-1) |
| EPA Substance Registry System | m-Dibromobenzene (108-36-1) |
| Safety Information |
| Hazard Codes | Xi,C |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-24/25 |
| RIDADR | UN 2711 |
| WGK Germany | 2 |
| RTECS | CZ1790000 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29036990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intraperitoneal,900mg/kg (900mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979. |
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