Bromobenzene-d5

Basic Information

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CAS Number

4165-57-5

Molecular Formula

C6H5Br

Molecular Weight

162.04 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

156 °C<br />53 °C/23 mmHg

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.5585(lit.)

SMILES

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C1=CC=C(C=C1)Br

InChI

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

InChIKey

QARVLSVVCXYDNA-RALIUCGRSA-N

LogP

2.4491000000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

46.1

Safety Information

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GHS Hazard Pictograms

H226

H315

H411

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 3 Class 3

Synonyms & References

English

MFCD00000056
1-BROMO((2)H?)BENZENE
Bromo(2H5)benzene
Benzene-d5, bromo-
Bromobenzene-d5, 99.5 atom % D
Bromobenzene-d5, reagent grade, >=99 atom % D, >=99% (CP)
4165-57-5
EINECS 224-013-8
DTXSID50961874
1-Bromo(~2~H_5_)benzene
Bromobenzene-d5
1-bromo-2,3,4,5,6-pentadeuteriobenzene
BROMOBENZENE-D5-D
SCHEMBL762140
AKOS015888356
Pentadeuterobromobenzene
C6D5Br
Ammonium-d4 chloride
1-bromopentadeuteriobenzene
1-bromopentadeuterobenzene
Benzene-d5,bromo
d5-phenyl bromide

MDL Number

MFCD00000056

FAQ

What are the physical and chemical properties of Bromobenzene-d5 (CAS: 4165-57-5)?

Bromobenzene-d5 (CAS: 4165-57-5) is a colorless liquid with a slightly aromatic odor. It has a molecular weight of 157.01 g/mol and a density of 1.271 g/cm³. The boiling point is 156.2°C, and it is slightly soluble in water but miscible with most organic solvents. Bromobenzene-d5 is relatively unreactive under normal conditions but can undergo substitution reactions under certain conditions.

How is Bromobenzene-d5 (CAS: 4165-57-5) typically synthesized?

Bromobenzene-d5 is typically synthesized by the addition of deuterium to bromobenzene using a deuterium gas source and a suitable catalyst. This process improves the purity and isotopic labeling of the compound. The reaction is carried out under anhydrous and inert conditions to ensure the quality of the final product.

What industries use Bromobenzene-d5 (CAS: 4165-57-5)?

Bromobenzene-d5 (CAS: 4165-57-5) is primarily used in the pharmaceutical industry for isotopic labeling studies. It is also used in polymer chemistry for the synthesis of new materials with improved properties. Additionally, it finds applications in the semiconductor and sensor industries due to its stability and reactivity.

What precautions should be taken when handling Bromobenzene-d5 (CAS: 4165-57-5)?

When handling Bromobenzene-d5 (CAS: 4165-57-5), proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Storage should be in a cool, well-ventilated area away from heat sources. Fume hoods should be used during handling to minimize exposure. In case of spill, it should be cleaned up using appropriate methods as outlined in the safety data sheet (SDS).