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CAS No.: | 15442-91-8 |
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Name: | 1,2,4,5-Tetrakis(bromomethyl)benzene |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C10H10Br4 |
Molecular Weight: | 449.805 |
Synonyms: | Tetrabromodurene;Benzene,1,2,4,5-tetrakis(bromomethyl)-; |
Density: | 2.168 g/cm3 |
Melting Point: | 159-161 °C(lit.) |
Boiling Point: | 408.7 °C at 760 mmHg |
Flash Point: | 194.7 °C |
Appearance: | off-white to light yellow crystalline powder |
Hazard Symbols: | C |
Risk Codes: | 34-36/37 |
Safety: | 26-27-28-36/37/39-45 |
Transport Information: | UN 3261 8/PG 2 |
PSA: | 0.00000 |
LogP: | 5.26620 |
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This product is an organic compound with the formula C10H10Br4. The IUPAC name of this chemical is 1,2,4,5-Tetrakis(bromomethyl)benzene. With the CAS registry number 15442-91-8, it is also named as Benzene,1,2,4,5-tetrakis(bromomethyl)-. In addition, the molecular weight is 449.80.
Physical properties of 1,2,4,5-Tetrakis(bromomethyl)benzene are: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.663; (7)Molar Refractivity: 76.84 cm3; (8)Molar Volume: 207.4 cm3; (9)Polarizability: 30.46×10-24cm3; (10)Surface Tension: 54.3 dyne/cm; (11)Density: 2.168 g/cm3; (12)Flash Point: 194.7 °C; (13)Enthalpy of Vaporization: 63.51 kJ/mol; (14)Boiling Point: 408.7 °C at 760 mmHg; (15)Vapour Pressure: 1.62E-06 mmHg at 25°C.
Preparation of 1,2,4,5-Tetrakis(bromomethyl)benzene: this chemical can be prepared by 1,2,4,5-tetrakis-bromomethyl-benzene at the temperature of 77 °C. This reaction will need reagents NBS, benzoyl peroxide and solvent CCl4 with the reaction time of 1 hour. The yield is about 49%.
Uses of 1,2,4,5-Tetrakis(bromomethyl)benzene: it can be used to produce 1,2,4,5-Tetrakis(pyrazol-1-ylmethyl)benzene by heating. It will need reagent 40% aq. NaOH and solvent benzene with the reaction time of 24 hours. This reaction will also need catalyst 40% aq. tetrabutylammonium hydroxide. The yield is about 63%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes and respiratory system. You must take off immediately all contaminated clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(c(cc1CBr)CBr)CBr
(2)Std. InChI: InChI=1S/C10H10Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,3-6H2
(3)Std. InChIKey: UTXIKCCNBUIWPT-UHFFFAOYSA-N