Nitrobenzene-d5

Basic Information

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CAS Number

4165-60-0

Molecular Formula

C6H5NO2

Molecular Weight

128.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

6 °C

Boiling Point

88 °C/12 mmHg

Solubility

1.9g/l

Refractive Index

n20/D 1.5498(lit.)

SMILES

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C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

InChIKey

LQNUZADURLCDLV-RALIUCGRSA-N

LogP

2.11800

Complexity

102

Safety Information

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GHS Hazard Pictograms

H301

H311

H331

H351

H372

H411

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

H351 Suspected of causing cancer
Carcinogenicity

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

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

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Hygroscopic. Combustible. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.

Explosive Limit

1.8-40%(V)

Synonyms & References

English

Nitrobenzene-d5, analytical standard
AS-75515
Benzene-d5, nitro-
Nitrobenzene D5 2000 microg/mL in Methanol
1-nitro(?H?)benzene
[2H5]Benzene, nitro-
LQNUZADURLCDLV-RALIUCGRSA-N
SCHEMBL1332838
Pentadeuteronitrobenzene
1,2,3,4,5-pentadeuterio-6-nitrobenzene
Nitrobenzene-d5, 99.5 atom % D
Nitrobenzene D5 100 microg/mL in Acetone
Benzene-D5-, nitro-
A935664
DTXSID6049690
4165-60-0
MFCD00044415
AKOS015888357
EINECS 224-014-3
Nitrobenzene-d5
PD014426
Nitrobenzene D5
NS00123269
1-Nitrobenzene-2,3,4,5,6-d5
Nitro(2H5)benzene
CHEBI:193044
EPA Method 529 Surrogate Standard Stock Solution
Method 8270 - Surrogate Standard
Nitrobenzene-d5 solution
Pentadeuterionitrobenzene
Perdeuteronitrobenzene

MDL Number

MFCD00044415

FAQ

What is Nitrobenzene-d5 (CAS: 4165-60-0)?

Nitrobenzene-d5 is a nitrogen-containing aromatic compound. It is a derivative of nitrobenzene with deuterium (D) replacing some hydrogen atoms. It has a CAS number of 4165-60-0 and is used in organic synthesis and as a research tool.

What are the main uses of Nitrobenzene-d5 (CAS: 4165-60-0)?

Nitrobenzene-d5 is primarily used in organic synthesis as a reagent and as a research tool. It is also employed in studying metabolic pathways and drug metabolism due to its structural similarity to nitrobenzene.

Is Nitrobenzene-d5 (CAS: 4165-60-0) safe?

Nitrobenzene-d5 is generally considered safe when handled appropriately. However, it is a toxic substance and exposure can cause skin irritation and respiratory issues. Proper protective equipment and ventilation are necessary during handling.

How should Nitrobenzene-d5 (CAS: 4165-60-0) be stored?

Nitrobenzene-d5 should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container and stored at room temperature or below. Avoid contact with incompatible materials such as oxidizers and strong acids.