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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5NO2
Molecular Weight 123.1094
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROBENZENE

SMILES

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

InChI

InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

HIDE SMILES / InChI

Molecular Formula C6H5NO2
Molecular Weight 123.1094
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Nitrobenzene is an organic compound with an odor of bitter almonds, prepared by nitration of benzene. In chemical industry nitrobenzene is mainly used to produce aniline. It is also used in the synthesis of other organic compounds, including acetaminophen. Nitrobenzene is very toxic and can cause acute poisoning because it is readily absorbed via the skin or respiratory tract. The primary effects are lowering of the hemoglobin level, methemoglobinemia, cyanosis, and breathlessness. Chronic exposure can lead to spleen and liver damage, jaundice, and anemia. Ingestion of alcohol may speed up and exaggerate the effects.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
274.1 µM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
E57JCN6SSY
Record Status Validated (UNII)
Record Version