4-nitropyridin-1-ium-1-olate

Basic Information

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CAS Number

1124-33-0

Molecular Formula

C5H4N2O3

Molecular Weight

140.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

159-162 °C

Boiling Point

256.56°C (rough estimate)

Flash Point

194 °C

Refractive Index

1.4800 (estimate)

SMILES

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

InChI

InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

InChIKey

RXKNNAKAVAHBNK-UHFFFAOYSA-N

LogP

log Kow = -0.55

Complexity

125

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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 6.1 Class 6.1

Synonyms & References

English

CAS-1124-33-0
2-Butenoic acid, 2-cyano-3-(2-methylphenyl)-, ethyl ester
1124-33-0
ULB29Z652D
Q-101515
FT-0619296
4-(Hydroxy(oxido)amino)-1lambda~5~-pyridin-1-ol
PYRIDINE, 4-NITRO-, 1-OXIDE
N0410
Tox21_300690
AB00617
BCP16314
p-Nitropyridine N-oxide
F1905-6987
4-nitropyridin-1-ium-1-olate
DTXCID7021524
AC-5155
EN300-16691
4-nitropyridin-1-oxide
MFCD00006206
NSC5079
4-Nitropyridine 1-oxide
SCHEMBL768956
NCGC00248141-01
NSC-5079
4-Nitropyridine-d4N-Oxide
NS00023641
4-Nitropyridine oxide
NSC-130895
4-nitro-1-oxido-pyridin-1-ium
NCGC00254598-01

MDL Number

MFCD00006206

Customs Code

29333999

FAQ

What are the physical and chemical properties of 4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0)?

4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0) is a crystalline compound with a high melting point. Its molecular weight is approximately 164.1 g/mol. It has moderate solubility in water and is less soluble in organic solvents. It is known for its reactivity, particularly in acid-base reactions and electrophilic substitution reactions.

How is 4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0) typically synthesized?

4-nitropyridin-1-ium-1-olate is typically synthesized by the nitration of pyridin-1-ium-1-olate. This process involves the reaction of pyridin-1-ium-1-olate with nitric acid in the presence of a suitable catalyst such as concentrated sulfuric acid. The yield is generally high, and the reaction is selective towards the nitration product.

What industries use 4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0)?

4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0) is primarily used in pharmaceutical research for its potential as a drug intermediate. It is also utilized in the synthesis of various organic compounds and may have applications in the semiconductor industry due to its electronic properties.

What precautions should be taken when handling 4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0)?

When handling 4-nitropyridin-1-ium-1-olate (CAS: 1124-33-0), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety glasses. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be contained and handled according to the safety data sheet (SDS). Always ensure proper ventilation and work in a fume hood.