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701734

Sigma-Aldrich

Bromobenzene-d5

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

Synonym(s):

Pentadeuterobromobenzene

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About This Item

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
Note: This product can be packaged on demand. For information on pricing, availability and packaging of custom sizes, please contact Stable Isotopes Customer Service

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC9884
SHBK2735
SHBH7882
SHBH4942V
SHBH5748

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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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