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| CAS No.: | 19614-12-1 |
|---|---|
| Name: | 2-BROMO-5-METHOXYBENZYL BROMIDE 97 |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C8H8Br2O |
| Molecular Weight: | 279.959 |
| Synonyms: | Anisole,4-bromo-3-(bromomethyl)- (8CI);1-Bromo-2-(bromomethyl)-4-methoxybenzene;2-Bromo-5-methoxybenzyl bromide;3-Methoxy-6-bromobenzyl bromide;4-Bromo-3-(bromomethyl)-1-methoxybenzene;5-Methoxy-2-bromobenzyl bromide; |
| Density: | 1.759 g/cm3 |
| Melting Point: | 90-94 °C |
| Boiling Point: | 299.6 °C at 760 mmHg |
| Flash Point: | 120.3 °C |
| Solubility: | Soluble in hot methanol. Slightly soluble in water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 9.23000 |
| LogP: | 3.35260 |
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Specification
The Benzene,1-bromo-2-(bromomethyl)-4-methoxy-, with the CAS registry number 19614-12-1, is also known as 2-Bromo-5-methoxybenzyl bromide. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C8H8Br2O and molecular weight is 279.958. What's more, its systematic name is called 1-Bromo-2-(bromomethyl)-4-methoxybenzene. It should be kept in a airtight, cold and dry place.
Physical properties about Benzene,1-bromo-2-(bromomethyl)-4-methoxy- are: (1) ACD/LogP: 3.87; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.87; (4) ACD/LogD (pH 7.4): 3.87; (5) ACD/BCF (pH 5.5): 510.79; (6) ACD/BCF (pH 7.4): 510.79; (7) ACD/KOC (pH 5.5): 3021.08; (8) ACD/KOC (pH 7.4): 3021.08; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.584; (14) Molar Refractivity: 53.26 cm3; (15) Molar Volume: 159.1 cm3; (16) Surface Tension: 41.3 dyne/cm; (17) Density: 1.759 g/cm3; (18) Flash Point: 120.3 °C; (19) Enthalpy of Vaporization: 51.81 kJ/mol; (20) Boiling Point: 299.6 °C at 760 mmHg; (21) Vapour Pressure: 0.0021 mmHg at 25 °C; (22) Melting Point: 90-94 °C.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contacting. What's more, it could cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water. And in case of other accidents or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(OC)ccc1Br
(2) InChI: InChI=1/C8H8Br2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
(3) InChIKey: MURVUTUZSUEIGI-UHFFFAOYAV