1,4-Dibromonaphthalene - CAS 83-53-4

Name: 1,4-Dibromonaphthalene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037048
Product Name:	1,4-Dibromonaphthalene
CAS:	83-53-4
Synonyms:	1,4-dibromonaphthalene; 1,4-dibromonaphthalene

Technical Data

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Computed Properties

IUPAC Name:	1,4-dibromonaphthalene
Description:	1,4-Dibromonaphthalene (CAS# 83-53-4) is an impurity of Edoxaban(E555520) which is an anticoagulant drug which acts as a direct factor Xa inhibitor.
Molecular Weight:	285.96
Molecular Formula:	C10H6Br2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC=C2Br)Br
InChI:	InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChI Key:	IBGUDZMIAZLJNY-UHFFFAOYSA-N
Boiling Point:	334.7 °C at 760 mmHg
Purity:	99 %
Density:	1.8199 (estimate) g/cm³
Appearance:	White powder
MDL:	MFCD00041823
LogP:	4.36480

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Related Functional Groups

Halides

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[111-85-3]C8H17Cl
1-Chlorooctane
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

GHS Hazard Statement:	H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113307764-A	Compound, electron transport material, organic electroluminescent device and display device	20210508
CN-113321649-A	Compound, electron transport material and organic electroluminescent device	20210423
CN-113024831-A	Indium luminescent metal organic framework material for detecting amoxicillin in water and preparation and application thereof	20210312
CN-113004110-A	Synthesis method of 1, 4-dimethylnaphthalene	20210303
CN-112159361-A	Electron transport material, organic electroluminescent device and display device	20201106

PMID	Publication Date	Title	Journal
21359364	20110407	Highly efficient desymmetrisation of a tricarbonylchromium 1,4-dibromonaphthalene complex by asymmetric Suzuki-Miyaura coupling	Chemical communications (Cambridge, England)
21583224	20090523	1,4-Bis(methyl-sulfan-yl)naphthalene	Acta crystallographica. Section E, Structure reports online
14640637	20031203	Comparison of 'polynaphthalenes' prepared by two mechanistically distinct routes	Journal of the American Chemical Society

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.88158
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.88363
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8