pyridin-1-ium-1-olate

Basic Information

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CAS Number

694-59-7

Molecular Formula

C5H5NO

Molecular Weight

95.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

62.0 to 67.0 deg-C

Boiling Point

270 °C

Density

1.1418 (rough estimate)

Refractive Index

1.5939 (estimate)

SMILES

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

InChI

InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

ILVXOBCQQYKLDS-UHFFFAOYSA-N

LogP

1.11510

pKa

0.79(at 24℃)

Complexity

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Sensitiveness

Hygroscopic

Synonyms & References

English

PYRIDINE 1-OXIDE [MI]
SY112170
FT-0632826
SB52274
ILVXOBCQQYKLDS-UHFFFAOYSA-N
STR00435
doi:10.14272/ILVXOBCQQYKLDS-UHFFFAOYSA-N.1
pyridineoxide
DTXSID3061007
PY N-oxide
F0001-1803
AC-907/25014058
NSC-18250
NS00021334
694-59-7
Pyridine oxide
F20317
1-oxidanidylpyridin-1-ium
NSC18250
Pyridine 1-oxide
Pyridine-1-oxide
EN300-1696783
10.14272/ILVXOBCQQYKLDS-UHFFFAOYSA-N.1
1-oxidePyridine
Q287787
NSC 18250
pyridine-oxide
CHEMBL3278446
AKOS015833456
J-524098
P0557

MDL Number

MFCD00006194

Customs Code

29333999

FAQ

What is pyridin-1-ium-1-olate (CAS: 694-59-7)?

Pyridin-1-ium-1-olate is a chemical compound with the CAS number 694-59-7. It is an organic compound derived from pyridine, with a negative charge on the nitrogen atom and a hydroxide group attached. Its chemical formula is C5H5NO2-. This compound is known for its basic properties and is used in various applications due to its reactivity and functionality.

What are the main uses of pyridin-1-ium-1-olate (CAS: 694-59-7)?

Pyridin-1-ium-1-olate is primarily used as a reagent in organic synthesis and as a functional group in medicinal chemistry. It serves as a base in certain reactions and can participate in nucleophilic substitution reactions. It also finds applications in pharmaceutical research, where its reactivity makes it useful for developing new drugs and materials.

Is pyridin-1-ium-1-olate (CAS: 694-59-7) safe?

Pyridin-1-ium-1-olate is generally considered safe for laboratory use under appropriate handling precautions. It is a mild base and not highly toxic. However, it should be used in well-ventilated areas and gloves should be worn to prevent skin contact. Ingestion or inhalation should be avoided. Compliance with safety standards and proper personal protective equipment are essential for safe handling.

How should pyridin-1-ium-1-olate (CAS: 694-59-7) be stored?

Pyridin-1-ium-1-olate should be stored in a tightly sealed container at room temperature, away from direct sunlight and heat sources to ensure stability. Keep the storage area dry and well-ventilated. Avoid exposure to moisture and humidity to prevent decomposition. Store it in a cool, dark place to maintain its chemical integrity and reactivity.