Basic information
- Standard SMILES
[Cl-].c1cc[nH+]cc1- InChIKey
AOJFQRQNPXYVLM-UHFFFAOYSA-N- Molecular formula
- C5H6ClN
- Average molar mass
- 115.56 g/mol
Overview
See also: Pyridinium chloride (preferred).
Names & identifiers
- Preferred name
- Einecs 211-027-4
- IUPAC
- pyridin-1-ium chloride
- English name
- Pyridine hydrochloride
- Molecular formula
- C5H5N.ClH
- Molecular weight
- 115.56
Names & synonyms
EINECS 211-027-4pyridin-1-ium;chlorideAI3-30571UNII-1U87419851NS00079972doi:10.14272/AOJFQRQNPXYVLM-UHFFFAOYSA-N.1PYRIDINIUM CHLORIDEPYRIDINE HCLPyridine hydrochloriPyridine chlorhydratePyridine hydrochloridPYRIDINE HYDROCHLORIDE
Show more names
PYRIDINIUM MONOCHLORIDEPyridine HydrochloroidePyridinehydrochloride,98%Pyridine Hydrochloride >
Database identifiers
- CAS
628-13-7- PubChem CID
- 69401
Properties
Computed structural properties
- Topological polar surface area
- 14.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 30.9
Physicochemical properties
- Melting point
- 145 · 145-147 °C(lit.)
- Boiling point
- 222 · 222-224 °C(lit.)
- Density
- 1.1182 · 1.1182 (rough estimate)
- refractive index
- 1.5304 · 1.5304 (estimate)
- Flash point
- 222 · 222-224°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 50 mg/mL, · ethanol: soluble50mg/mL, clear, colorless to light yellow
- form
- Crystals
- color
- White to tan
- Water Solubility
- 85 g/100 · 85 g/100 mL
- Sensitive
- Hygroscopic
- BRN
- 3615340 · 3615340
- Stability
- Hygroscopic
- InChI
- 1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
- InChIKey
- AOJFQRQNPXYVLM-UHFFFAOYSA-N
- SMILES
- Cl[H].c1ccncc1
- CAS DataBase Reference
- 628 · 628-13-7(CAS DataBase Reference)
- FDA UNII
- 1 U87419851 · 1U87419851
- EPA Substance Registry System
- Pyridine hydrochloride (628-13-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 301 · P301+P312+P330-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 4375000 · UT4375000
- F
- 3 · 3-10
- TSCA
- TSCA listed
- HS Code
- 29333100 · 29333100
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UT4375000
- hs_code
- 29333100
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPyridine 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 reactions and can be used as a base in condensation reactions.
Preparation methods
PreparationPyridine hydrochloride could be synthesized through the liquid-liquid synthesis method (pyridine and hydrochloric acid) and the gas-liquid synthesis method (pyridine and hydrogen chloride gas) respectively. The yield of the liquid-liquid synthesis method was 85% and the gas-liquid synthesis method was 92%.
Upstream & downstream products
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Related reactions
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