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701734

Sigma-Aldrich

Bromobenzene-d5

reagent grade, ≥99 atom % D, ≥99% (CP)

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Synonym(s):
Pentadeuterobromobenzene
Linear Formula:
C6D5Br
CAS Number:
4165-57-5
Molecular Weight:
162.04
Beilstein:
1866602
EC Number:
224-013-8
MDL number:
MFCD00000056
UNSPSC Code:
12142201
PubChem Substance ID:
329762316

grade

reagent grade

isotopic purity

≥99 atom % D

Assay

≥99% (CP)

form

liquid

refractive index

n20/D 1.5585 (lit.)

bp

156 °C
53 °C/23 mmHg (lit.)

density

1.538 g/mL at 25 °C
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

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Warning

Hazard Statements

H226,H315,H411

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

123.8 °F

Flash Point(C)

51 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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’.

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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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