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Home > Hot Product_List > 1,8-Dibromonaphtalene

Basic information

  • Name:
  • Naphthalene,1,8-dibromo-

  • Superlist Name:
  • 1,8-Dibromonaphtalene
  • CAS No.:
  • 17135-74-9

  • Molecular Structure:
  • Formula:
  • C10H6Br2
  • Molecular Weight:
  • 285.96
  • Synonyms:
  • 1,8-Dibromonaphthalene;
  • Density:
  • 1.834 g/cm3
  • Melting Point:
  • 106-108 °C
  • Boiling Point:
  • 339.1 °C at 760 mmHg
  • Flash Point:
  • 184.7 °C
  • Appearance:
  • off-white solid

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Specification

The IUPAC name of 1,8-Dibromonaphtalene is 1,8-dibromonaphthalene. With the CAS registry number 17135-74-9, it is also named as Naphthalene,1,8-dibromo-. Besides, it is off-white solid which should avoid contact with strong oxidizing agents. This chemical is mainly used for coupling reaction. In addition, its molecular formula is C10H6Br2 and molecular weight is 285.96.

The other characteristics of 1,8-Dibromonaphtalene can be summarized as: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 4.99; (5)ACD/BCF (pH 5.5): 3666.34; (6)ACD/BCF (pH 7.4): 3666.34; (7)ACD/KOC (pH 5.5): 12384.32; (8)ACD/KOC (pH 7.4): 12384.32; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 59.47 cm3; (14)Molar Volume: 155.9 cm3; (15)Polarizability: 23.57×10-24cm3; (16)Surface Tension: 48.7 dyne/cm; (17)Density: 1.834 g/cm3; (18)Flash Point: 184.7 °C; (19)Enthalpy of Vaporization: 55.95 kJ/mol; (20)Boiling Point: 339.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000184 mmHg at 25 °C; (22)Melting Point: 106-108 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cccc2cccc(Br)c12
(2)InChI:InChI=1/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
(3)InChIKey:DLXBGTIGAIESIG-UHFFFAOYAQ
(4)Std. InChI:InChI=1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
(5)Std. InChIKey:DLXBGTIGAIESIG-UHFFFAOYSA-N

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