CAS No.5328-76-7,5-bromo-1-nitro-naphthalene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5328-76-7
Name:	5-bromo-1-nitro-naphthalene
Article Data:	18

Formula:	C₁₀H₆BrNO₂
Molecular Weight:	252.067
Synonyms:	1-Bromo-5-nitronaphthalene;5-Bromo-1-nitronaphthalene;5-bromo-1-nitro-naphthalene;1/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6;10023-28-6;
Density:	1.662g/cm³
Melting Point:	121 °C
Boiling Point:	363.8 °C at 760 mmHg
Flash Point:	173.8 °C
PSA:	45.82000
LogP:	4.03370

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Specification

The Naphthalene, 1-bromo-5-nitro-, with CAS registry number 5328-76-7, has the systematic name of 1-bromo-5-nitronaphthalene. Besides this, it is also called 5-bromo-1-nitro-naphthalene. And the chemical formula of this chemical is C₁₀H₆BrNO₂.

Physical properties of Naphthalene, 1-bromo-5-nitro-: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 58.33 cm³; (9)Molar Volume: 151.5 cm³; (10)Polarizability: 23.12×10^-24cm³; (11)Surface Tension: 57.3 dyne/cm; (12)Density: 1.662 g/cm³; (13)Flash Point: 173.8 °C; (14)Enthalpy of Vaporization: 58.59 kJ/mol; (15)Boiling Point: 363.8 °C at 760 mmHg; (16)Vapour Pressure: 3.68E-05 mmHg at 25°C.

Uses of Naphthalene, 1-bromo-5-nitro-: it can be used to produce 8-bromo-4-nitro-naphthalen-1-ol and 5-bromo-1-nitro-naphthalen-2-ol. This reaction will need reagents t-butyl hydroperoxide, t-BuOK and solvent liquid ammonia. The reaction temperature is -33 ℃. The yield is about 85%.

Naphthalene, 1-bromo-5-nitro- can be used to produce 8-bromo-4-nitro-naphthalen-1-ol and 5-bromo-1-nitro-naphthalen-2-ol

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1cccc2Br
(2)InChI: InChI=1/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H
(3)InChIKey: OTYRDQXZRJZHOX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H
(5)Std. InChIKey: OTYRDQXZRJZHOX-UHFFFAOYSA-N