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| CAS No.: | 54788-17-9 |
|---|---|
| Name: | 1-BROMOMETHYL-2-CHLORO-4-METHOXYBENZENE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H8BrClO |
| Molecular Weight: | 235.508 |
| Synonyms: | 1-BROMOMETHYL-2-CHLORO-4-METHOXYBENZENE;2-Chloro-4-methoxybenzyl bromide, 95%;Bromomethyl-2-Chloro-4-Methoxybenzene |
| Density: | 1.521 g/cm3 |
| Melting Point: | 57-58°C |
| Boiling Point: | 275.551 °C at 760 mmHg |
| Flash Point: | 120.449 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 9.23000 |
| LogP: | 3.24350 |
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Specification
The 2-Chloro-4-methoxybenzyl bromide, with CAS registry number 54788-17-9, has the systematic name of 1-(bromomethyl)-2-chloro-4-methoxybenzene. Besides this, it is also called Bromomethyl-2-Chloro-4-Methoxybenzene. And the chemical formula of this chemical is C8H8BrClO.
Physical properties of 2-Chloro-4-methoxybenzyl bromide: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 357; (6)ACD/BCF (pH 7.4): 357; (7)ACD/KOC (pH 5.5): 2338; (8)ACD/KOC (pH 7.4): 2338; (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: 1.565; (14)Molar Refractivity: 50.475 cm3; (15)Molar Volume: 154.879 cm3; (16)Polarizability: 20.01×10-24cm3; (17)Surface Tension: 39.698 dyne/cm; (18)Density: 1.521 g/cm3; (19)Flash Point: 120.449 °C; (20)Enthalpy of Vaporization: 49.333 kJ/mol; (21)Boiling Point: 275.551 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-4-methoxybenzyl bromide may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(cc1Cl)OC
(2)InChI: InChI=1/C8H8BrClO/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
(3)InChIKey: UIOYCWAQKOLSMA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H8BrClO/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
(5)Std. InChIKey: UIOYCWAQKOLSMA-UHFFFAOYSA-N