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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 | Hazard Symbols | Xi | |
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 |
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
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
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.