Basic information
- Name:
1,4'-Bipyridinium,chloride, hydrochloride (1:1:1)
- Superlist Name:
- N-(4-Pyridyl)pyridinium chloride hydrochloride
- CAS No.:
5421-92-1
- Molecular Structure:
- Formula:
- C10H9ClN2.HCl
- Molecular Weight:
- 229.11
- Synonyms:
- 1-(4-Pyridinyl)pyridinium chloride hydrochloride;4-Pyridylpyridinium chloride hydrochloride;N-(4-Pyridyl)pyridinium chloridehydrochloride;1-(4-Pyridyl)pyridinium chloride, hydrochloride(6CI,7CI);1,4'-Bipyridinium,chloride, hydrochloride (9CI);
- EINECS:
- 226-543-5
- Density:
- g/cm3
- Melting Point:
- 166-170 °C (dec.)(lit.)
- Boiling Point:
- °Cat760mmHg
- Flash Point:
- °C
- Appearance:
- Light brown powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
- Transport Information:
- UN 2585 8/PG 3
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Chemistry
Molecule structure of N-(4-Pyridyl)pyridinium chloride hydrochloride (CAS NO.5421-92-1):
IUPAC Name: N-[(7S)-2-Hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular Weight: 385.41042 [g/mol]
Molecular Formula: C21H23NO6
XLogP3: 0.5
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Tautomer Count: 6
Exact Mass: 385.152537
MonoIsotopic Mass: 385.152537
Topological Polar Surface Area: 94.1
Heavy Atom Count: 28
Melting Point: 166-170 °C (dec.)(lit.)
Canonical SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
Isomeric SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
InChI: InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey: DPOVAJCRYIUTBD-HNNXBMFYSA-N
EINECS: 226-543-5
Product Categories of N-(4-Pyridyl)pyridinium chloride hydrochloride (CAS NO.5421-92-1): Pyridines; Pyridinium Compounds; C9 to C46; Heterocyclic Building Blocks
Safety Profile
Hazard Codes: 
C, 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2585 8/PG 3
WGK Germany: 3
F: 3
Specification
N-(4-Pyridyl)pyridinium chloride hydrochloride (CAS NO.5421-92-1) is also called 1-(4-Pyridinyl)pyridinium chloride hydrochloride ; 1,4'-Bipyridinium, chloride, hydrochloride ; 1,4'-Bipyridinium, chloride, hydrochloride (1:1:1) ; 4-Pyridiniopyridinium dichloride . N-(4-Pyridyl)pyridinium chloride hydrochloride (CAS NO.5421-92-1) is light brown powder.