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| CAS No.: | 618-31-5 |
|---|---|
| Name: | BENZAL BROMIDE |
| Article Data: | 71 |
| Molecular Structure: | |
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| Formula: | C7H6Br2 |
| Molecular Weight: | 249.933 |
| Synonyms: | Toluene, a,a-dibromo- (6CI,8CI);(Dibromomethyl)benzene;Benzalbromide;Benzal dibromide;Benzylidene bromide;Benzylidene dibromide;Dibromophenylmethane;a,a-Dibromotoluene; |
| EINECS: | 210-543-7 |
| Density: | 1.881 g/cm3 |
| Melting Point: | 111℃ |
| Boiling Point: | 276.6 °C at 760 mmHg |
| Flash Point: | 100.2 °C |
| Hazard Symbols: |
 T
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| Risk Codes: | 23/24/25-34 |
| Safety: | 23-26-36/37/39-45 |
| Transport Information: | UN 2927 6.1/PG 2 |
| PSA: | 0.00000 |
| LogP: | 3.47500 |
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Specification
The CAS registry number of Benzene,(dibromomethyl)- is 618-31-5. Its EINECS registry number is 210-543-7. The systematic name is (dibromomethyl)benzene. In addition, the molecular formula is C7H6Br2 and the molecular weight is 249.93. What's more, it is a kind of clear light yellow to orange liquid and should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 274.01; (5)ACD/BCF (pH 7.4): 274.01; (6)ACD/KOC (pH 5.5): 1934.45; (7)ACD/KOC (pH 7.4): 1934.45; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 46.63 cm3; (11)Molar Volume: 132.8 cm3; (12)Polarizability: 18.48 ×10-24cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.881 g/cm3; (15)Flash Point: 100.2 °C; (16)Enthalpy of Vaporization: 49.44 kJ/mol; (17)Boiling Point: 276.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00802 mmHg at 25°C.
Preparation of Benzene,(dibromomethyl)-: it can be prepared by benzaldehyde. This reaction will need reagents triphenylphosphine and 2,4,4,6-tetrabromo-2,5-cyclohexadienone and solvent benzene. The reaction time is 18 hours by heating. The yield is about 90%.
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Uses of Benzene,(dibromomethyl)-: it can react with allyl-chloro-dimethyl-silane to get [bis-(allyl-dimethyl-silanyl)-methyl]-benzene. This reaction will need reagent Mg and solvents diethyl ether and tetrahydrofuran. The reaction time is 12 hours. The yield is about 57%.
![Benzene,(dibromomethyl)- can react with allyl-chloro-dimethyl-silane to get [bis-(allyl-dimethyl-silanyl)-methyl]-benzene](/UserFilesUpload/Uses of Benzene,(dibromomethyl)-.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. And it is toxic by inhalation, in contact with skin and if swallowed. 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. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)c1ccccc1
(2)InChI: InChI=1/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
(3)InChIKey: VCJZTATVUDMNLU-UHFFFAOYAG