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N-(4-Pyridyl)pyridinium chloride hydrochloride

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Name

N-(4-Pyridyl)pyridinium chloride hydrochloride

EINECS 226-543-5
CAS No. 5421-92-1 Density g/cm3
PSA 16.77000 LogP -0.83570
Solubility N/A Melting Point 166-170 °C (dec.)(lit.)
Formula C10H9ClN2.HCl Boiling Point °Cat760mmHg
Molecular Weight 229.109 Flash Point °C
Transport Information UN 2585 8/PG 3 Appearance Light brown powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5421-92-1 (N-(4-Pyridyl)pyridinium chloride hydrochloride) Hazard Symbols IrritantXi
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);

Article Data 7

N-(4-Pyridyl)pyridinium chloride hydrochloride Chemical Properties

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

N-(4-Pyridyl)pyridinium chloride hydrochloride Safety Profile

Hazard Codes: CorrosiveC, IrritantXi
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

N-(4-Pyridyl)pyridinium chloride hydrochloride 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.

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