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| CAS No.: | 413589-34-1 |
|---|---|
| Name: | 3-CHLORO-4-FLUOROPHENYLMAGNESIUM BROMID& |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C6H3BrClFMg |
| Molecular Weight: | 233.7484232 |
| Synonyms: | Bromo(3-chloro-4-fluorophenyl)magnesium; |
| Density: | 0.966 g/cm3 |
| Boiling Point: | 65 °C at 760 mmHg |
| Flash Point: | 1 °F |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-14-19-22-34-40 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 |
| PSA: | 0.00000 |
| LogP: | 3.12490 |
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Specification
The 3-Chloro-4-fluorophenylmagnesium bromide, with the CAS registry number 413589-34-1, belongs to the product categories of Aryl; Grignard Reagents; Organometallic Reagents. This chemical's molecular formula is C6H3BrClFMg and molecular weight is 233.7484232. What's more, its systematic name is Bromo(3-chloro-4-fluorophenyl)magnesium. In addition, physical properties about 3-Chloro-4-fluorophenylmagnesium bromide are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: Å2.
When you are using 3-Chloro-4-fluorophenylmagnesium bromide, please be cautious about it as the following:
This chemical may react violently with water. In addition, it may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc([Mg]Br)cc1Cl
(2) InChI: InChI=1/C6H3ClF.BrH.Mg/c7-5-3-1-2-4-6(5)8;;/h2-4H;1H;/q;;+1/p-1/rC6H3BrClFMg/c7-10-4-1-2-6(9)5(8)3-4/h1-3H
(3) InChIKey: XRNCDMQVKMYTAM-SGNBZLIXAK