Basic information
- CAS
5421-92-1- Standard SMILES
[Cl-].[Cl-].c1cc[n+](-c2cc[nH+]cc2)cc1- InChIKey
QZOFFMRDIRXGKJ-UHFFFAOYSA-M- Molecular formula
- C10H10Cl2N2
- Average molar mass
- 229.1 g/mol
- Monoisotopic mass
- 228.0221037
Overview
See also: 1,4'-Bipyridinium, chloride, hydrochloride (1:1:1) (preferred).
Names & identifiers
- Preferred name
- 1,4'-Bipyridinium, chloride
- IUPAC
- 1-pyridin-1-ium-4-ylpyridin-1-ium dichloride
- English name
- N-(4-Pyridyl)pyridinium chloride hydrochloride
- Molecular formula
- C10H10Cl2N2
- Molecular weight
- 229.11
Names & synonyms
1,4'-Bipyridinium, chloride1,4'-bipyridinium chlorideAKOS0281098364-(pyridyl)pyridinium chloride hydrochlorideNS00044773N-(4-Pyridyl)pyridinLABOTEST-BB LT004517781,4'-Bipyridinium dichloride4-pyridiniopyridinium dichlorideN-(4-PYRIDYL)PYRIDINIUMCHLORIDEHCL1-(4-PYRIDYL)PYRIDINIUM CHLORIDE HCL4-Pyridin-1-ium-1-ylpyridine dichloride
Show more names
1,4'-BIPYRIDINIUM, CHLORIDE, HYDROCHLORIDE4-PYRIDYLPYRIDINIUM CHLORIDE HYDROCHLORIDE
Database identifiers
- CAS
5421-92-1- PubChem CID
- 11680222
Properties
Computed structural properties
- Topological polar surface area
- 18 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 166 · 166-170 °C (dec.)(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- color
- Yellow to brown
- BRN
- 3786515 · 3786515
- InChI
- InChI=1S/C10H9N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h1-9H;2*1H/q+1;;/p-1
- InChIKey
- QZOFFMRDIRXGKJ-UHFFFAOYSA-M
- SMILES
- C1(=CC=NC=C1)[N+]1C=CC=CC=1.Cl.[Cl-]
- CAS DataBase Reference
- 5421 · 5421-92-1(CAS DataBase Reference)
- FDA UNII
- 9 BD32NT · RJU9BD32NT
- EPA Substance Registry System
- 1 · 1,4'-Bipyridinium, chloride, hydrochloride (5421-92-1)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2585 8/PG 3
- hs_code
- 29333990
- risk_code
- 36/37/38-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- safety_code
- 26-37/39-45-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H314-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P305+P351+P338-P310-P261
Chemistry & industry
Applications
Uses1-(4-pyridyl)pyridinium chloride hydrochloride is a purple-brown to brown powder and can be used as an intermediate in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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