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Merck
CN

175730

Bromobenzene-d5

99.5 atom % D

Synonym(s):

Pentadeuterobromobenzene

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About This Item

Linear Formula:
C6D5Br
CAS Number:
4165-57-5
Molecular Weight:
162.04
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24850526
EC Number:
224-013-8
Beilstein/REAXYS Number:
1866602
MDL number:
MFCD00000056
Isotopic purity:
99.5 atom % D
Assay:
99% (CP)
Mass shift:
M+5
Form:
liquid

Key Documents

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InChI key

QARVLSVVCXYDNA-RALIUCGRSA-N

InChI

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

SMILES string

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

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

Quality Level

100

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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.

Other Notes

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signalword

Warning

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

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

Regulatory Information

危险化学品
美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCP9134
MKCQ2401
MKCT6509
MKCH3909
MKCG2498

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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)

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