Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

175730

Sigma-Aldrich

Bromobenzene-d5

99.5 atom % D

Synonym(s):

Pentadeuterobromobenzene

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
C6D5Br
CAS Number:
Molecular Weight:
162.04
Beilstein/REAXYS Number:
1866602
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

99.5 atom % D

assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.5585 (lit.)

bp

156 °C
53 °C/23 mmHg (lit.)

density

1.539 g/mL at 25 °C (lit.)

mass shift

M+5

SMILES string

[2H]c1c([2H])c([2H])c(Br)c([2H])c1[2H]

InChI

1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

InChI key

QARVLSVVCXYDNA-RALIUCGRSA-N

Looking for similar products? Visit Product Comparison Guide

General description

Bromobenzene-d5 is a deuterated derivative of bromobenzene having an isotopic purity of 99.5 atom% D. Temperature dependent 1H-NMR (Proton Nuclear Magnetic Resonance) spectra of calixarenes (p-tert-butylcalix-[4]- and calix[8]arene) have been investigated in CDCl3 and bromobenzene-d5. Imaginary refractive indices, real refractive indices and other absorption quantities and imaginary molar polarizability spectra of liquid bromobenzene-d5 have been evaluated.

Application

Bromobenzene-d5 may be used in the preparation of orthoterphenyl-d10 (OTP-d10).
Starting material used to prepare free radicals for ESR studies.

Recommended products

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

signalword

Warning

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Comparative study of the Debye-Waller factor anomaly at the glass transition of isotopically substituted orthoterphenyls.
Debus O, et al.
Chemical Physics Letters, 180(3), 271-274 (1991)
The Journal of Organic Chemistry, 56, 3950-3950 (1991)
Optical constants, and vibrational assignment of liquid bromobenzene-d5 between 4000 and 400cm-1 at 25? C.
Keefe CD and Donovan LA.
Journal of Molecular Structure, 597(1), 259-268 (2001)
Calixarenes. 5. Dynamic NMR characteristics of p-tert-butylcalix [4]-arene and p-tert-butylcalix [8] arene.
Gutsche CD and Bauer LJ.
Tetrahedron Letters, 22(48), 4763-4766 (1981)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service