1-(4-Nitrophenyl)-1H-imidazole

Basic Information

View in Editor

CAS Number

2301-25-9

Molecular Formula

C9H7N3O2

Molecular Weight

189.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

198-203 ºC

Boiling Point

374.1°C at 760 mmHg

Density

1.33

Flash Point

180.1°C

Refractive Index

1.65

SMILES

View in Editor

C1=CC(=CC=C1N2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H

InChIKey

PUCOOPJLAXJKOO-UHFFFAOYSA-N

LogP

2.30370

Complexity

209

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Imidazole, 1-(p-nitrophenyl)-
5-23-04-00269 (Beilstein Handbook Reference)
1-(-4-nitrophenyl)imidazole
CHEMBL279810
BRN 0164842
Oprea1_015132
4-(imidazole-1-yl)nitrobenzene
DTXSID20177566
AM20060912
SR-01000399376-1
MLS001030210
2301-25-9
SMR000427321
J-800094
InChI=1/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7
1-(imidazol-1-yl)-4-nitrobenzene
FT-0605761
4-(1H-Imidazol-1-yl)-nitrobenzene
MFCD00060491
DS-0167
CS-0157619
1-(4-Nitrophenyl)-1H-imidazole
1-(4-Nitro-phenyl)-1H-imidazole
W-200237
NCGC00246371-01
Cambridge id 5511236
GEO-02033
SCHEMBL1067002
1H-Imidazole, 1-(4-nitrophenyl)-
4-(Imidazol-1-yl)nitrobenzene
SR-01000399376

MDL Number

MFCD00060491

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9)?

1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9) is a crystalline solid with a molecular weight of approximately 204.14 g/mol. It is slightly soluble in water and ethanol. Chemically, it is less reactive compared to other imidazoles but shows good reactivity towards nucleophiles. It is stable under normal conditions but is prone to hydrolysis in basic media.

How is 1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9) typically synthesized?

1-(4-Nitrophenyl)-1H-imidazole can be synthesized via the condensation of 4-nitrophenyl isocyanate with 1H-imidazole. This reaction typically requires a coupling agent or a base catalyst. The yield is usually around 75-85%, and the product is purified by recrystallization from ethanol.

What industries use 1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9)?

1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9) is used in various industries, including pharmaceuticals for synthesis of certain drugs, sensors for detecting specific chemicals, and as a precursor in polymer synthesis. It also has applications in the semiconductor industry for certain thin-film processes.

What precautions should be taken when handling 1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9)?

When handling 1-(4-Nitrophenyl)-1H-imidazole (CAS: 2301-25-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, immediately contain it, clean up with appropriate absorbents, and dispose of the waste according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.