CAS 628-13-7|PYRIDINE HYDROCHLORIDE TECHNICAL GRADE|Pyridine hydrochloride|pyridine hydrochloride|pyridine hydrochloride|Pyridinium chloride|Pyridine hydrochloride|吡啶盐酸盐|吡啶盐酸盐|吡啶盐酸盐

General Information

Structure

Molecular Formula

C₅H₆ClN

Molecular Mass

115.56084

Exact Mass

115.01887688

Charge

InChI

InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H

InChIKey

AOJFQRQNPXYVLM-UHFFFAOYSA-N

Canonic Smiles

c1cccnc1.Cl

Isomeric Smiles

n1ccccc1.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.6230428

LogD (pH = 7.4)

0.75354445

Log P

0.7555734

Molar Refractivity

23.9011

Polarizability

9.4423685

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

PYRIDINE HYDROCHLORIDE TECHNICAL GRADEPyridine hydrochloridePyridinium chloridePyridine hydrochloride吡啶盐酸盐吡啶盐酸盐吡啶盐酸盐

IUPAC name

pyridine hydrochloride

IUPAC Traditional name

pyridine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem CID

PubChem SID

1620417802488804524854598

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05217977

MP Biomedicals Rare Chemical collection

Sigma Aldrich

243086

Packaging
100, 500 g in poly bottle
5 g in glass bottle

TRC

P991280

Pyridine Hydrochloride is the hydrochloride salt of pyridine, a basic six-membered heterocyclic ring. Pyridine is a base structure present in many biologically active compounds like the vitamins niacin and pyridoxal. Pyridine is used in dehalogenation rea

Molecule Details

References

PubChem Literature

From Data Sources

• Egyed, J. et al.: Bull. Soc. Chim. Fra., 11, 3014 (1973)

• Li, Y. et al.: Wuli HUa. Xueb., 14, 1048 (1973)

• Epoxides at ambient temperature in chloroform give chlorohydrins: Synth. Commun., 11, 287 (1981).

• Mild acid catalyst, e.g. in the formation of acetals with ethylene glycol: J. Org. Chem., 31, 26 (1966), or 1,3-propanediol: Bull. Soc. Chim. Fr., 2287 (1972); and in the Fischer indole synthesis for acid-sensitive substrates: Synthesis, 645 (1977).

• Demethylation of methyl aryl ethers can also be carried out under solvent-free conditions with microwave irradiation: J. Chem. Res. (Synop.), 394 (1999).

• Classical reagent for cleavage of aryl methyl ethers at 200-220 ^o : Ber ., 75, 445 (1942), avoiding the strongly acidic or basic conditions of some alternative methods; see, e.g.: J. Org. Chem., 27, 4660 (1962):

• Cleaves N-trityl groups from histidine residues in peptide synthesis: Tetrahedron Lett., 28, 6031 (1987).

• In DMF, has been used for the conversion of alkyl tosylates to chlorides at room temperature: J. Am. Chem. Soc., 80, 2726 (1958).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

PYRIDINE HYDROCHLORIDE TECHNICAL GRADEPyridine hydrochloridePyridinium chloridePyridine hydrochloride吡啶盐酸盐吡啶盐酸盐吡啶盐酸盐

IUPAC name

pyridine hydrochloride

IUPAC Traditional name

pyridine hydrochloride

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem CID

PubChem SID

1620417802488804524854598

Molecule Details

MP Biomedicals

05217977

MP Biomedicals Rare Chemical collection

Sigma Aldrich

243086

Packaging
100, 500 g in poly bottle
5 g in glass bottle

TRC

P991280

References

PubChem Literature

From Data Sources

• Egyed, J. et al.: Bull. Soc. Chim. Fra., 11, 3014 (1973)

• Li, Y. et al.: Wuli HUa. Xueb., 14, 1048 (1973)

• Epoxides at ambient temperature in chloroform give chlorohydrins: Synth. Commun., 11, 287 (1981).

• Demethylation of methyl aryl ethers can also be carried out under solvent-free conditions with microwave irradiation: J. Chem. Res. (Synop.), 394 (1999).

• Cleaves N-trityl groups from histidine residues in peptide synthesis: Tetrahedron Lett., 28, 6031 (1987).

• In DMF, has been used for the conversion of alkyl tosylates to chlorides at room temperature: J. Am. Chem. Soc., 80, 2726 (1958).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:76878