2,3-Dibromonaphthalene

CAS: 13214-70-5 · C10H6Br2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 13214-70-5
Molecular Formula: C10H6Br2
Molecular Mass: 285.97 g/mol

Identifiers

CAS Registry Number

13214-70-5

SMILES

Brc1cc2ccccc2cc1Br

InChI Key

GTILXPRQNNYDHT-UHFFFAOYSA-N

InChI

InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H

Names and Synonyms

2,3-Dibromonaphthalene Systematic Name
Naphthalene, 2,3-dibromo- Synonym
2,3-Dibromonaphthalene Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	285.97 g/mol	CAS Common Chemistry
	285.966 g/mol	RDKit
Canonical SMILES	BrC1=CC=2C=CC=CC2C=C1Br	CAS Common Chemistry
InChI	InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H	CAS Common Chemistry
InChI Key	InChIKey=GTILXPRQNNYDHT-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	140 °C	CAS Common Chemistry
Name	2,3-Dibromonaphthalene	CAS Common Chemistry
Heavy Atom Count	12	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	4.364800000000001	RDKit
	4.3648	RDKit
Molar Refractivity	59.34800000000002 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	283.883624392 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 285.97 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Related molecules

Other compounds with formula C10H6Br2.

1,4-Dibromonaphthalene CAS 83-53-4