Product Name

  • Name

    1-BROMOMETHYL-2-CHLORO-4-METHOXYBENZENE

  • EINECS
  • CAS No. 54788-17-9
  • Article Data6
  • CAS DataBase
  • Density 1.521 g/cm3
  • Solubility
  • Melting Point 57-58°C
  • Formula C8H8BrClO
  • Boiling Point 275.551 °C at 760 mmHg
  • Molecular Weight 235.508
  • Flash Point 120.449 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 54788-17-9 (1-BROMOMETHYL-2-CHLORO-4-METHOXYBENZENE)
  • Hazard Symbols IrritantXi
  • Synonyms 1-BROMOMETHYL-2-CHLORO-4-METHOXYBENZENE;2-Chloro-4-methoxybenzyl bromide, 95%;Bromomethyl-2-Chloro-4-Methoxybenzene
  • PSA 9.23000
  • LogP 3.24350

2-Chloro-4-methoxybenzyl bromide 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

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