Product Name

  • Name

    1-[2-(Benzyloxy)-5-bromophenyl]adamantane

  • EINECS
  • CAS No. 736992-49-7
  • Article Data1
  • CAS DataBase
  • Density 1.327 g/cm3
  • Solubility
  • Melting Point
  • Formula C23H25BrO
  • Boiling Point 499.8 °C at 760 mmHg
  • Molecular Weight 397.355
  • Flash Point 192.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 736992-49-7 (1-[2-(Benzyloxy)-5-bromophenyl]adamantane)
  • Hazard Symbols IrritantXi
  • Synonyms 1-(2-benzyloxy-5-bromo-phenyl)adamantane;1-[2-(Benzyloxy)-5-bromophenyl]adamantane 98%;2-(Adamantan-1-yl)-1-benzyloxy-4-bromobenzene;
  • PSA 9.23000
  • LogP 6.49590

Tricyclo[3.3.1.13,7]decane,1-[5-bromo-2-(phenylmethoxy)phenyl]- Specification

The Tricyclo[3.3.1.13,7]decane,1-[5-bromo-2-(phenylmethoxy)phenyl]-, with the CAS registry number 736992-49-7, is also known as 2-(Adamantan-1-yl)-1-benzyloxy-4-bromobenzene. It belongs to the product categories of Blocks; Bromides. This chemical's molecular formula is C23H25BrO and molecular weight is 397.35. What's more, its systematic name is 1-(2-benzyloxy-5-bromo-phenyl)adamantane.

Physical properties of Tricyclo[3.3.1.13,7]decane,1-[5-bromo-2-(phenylmethoxy)phenyl]- are: (1)ACD/LogP: 8.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 8.16; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.622; (10)Molar Refractivity: 105.42 cm3; (11)Molar Volume: 299.2 cm3; (12)Polarizability: 41.79×10-24 cm3; (13)Surface Tension: 49.4 dyne/cm; (14)Density: 1.327 g/cm3; (15)Flash Point: 192.4 °C; (16)Enthalpy of Vaporization: 73.91 kJ/mol; (17)Boiling Point: 499.8 °C at 760 mmHg; (18)Vapour Pressure: 1.24E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1ccc(cc1)COc2ccc(cc2C34CC5CC(C3)CC(C5)C4)Br
(2)InChI: InChI=1/C23H25BrO/c24-20-6-7-22(25-15-16-4-2-1-3-5-16)21(11-20)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-7,11,17-19H,8-10,12-15H2/t17-,18-,19-,23-
(3)InChIKey: GVLSPHCBVZUIKP-UACXCYOXBY

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