Molecular Structure of 2-Chloro-1-methylpyridinium iodide (CAS NO.14338-32-0):
IUPAC Name: 2-chloro-1-methylpyridin-1-ium iodide
Empirical Formula: C6H7ClIN
Molecular Weight: 255.4839
ACD/LogP: -3.00
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -3
ACD/LogD (pH 7.4): -3
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 3.88 Å2
Melting point: 200 °C (dec.)(lit.)
Storage temp: Store at 0-5°C
Water Solubility: soluble
Sensitive: Moisture & Light Sensitive
Merck: 6301
BRN: 3572320
InChI
InChI=1/C6H7ClN.HI/c1-8-5-3-2-4-6(8)7;/h2-5H,1H3;1H/q+1;/p-1
Smiles
c1(cccc[n+]1C)Cl.[IH-]
EINECS: 238-288-7
Product Categories: Heterocyclic Compounds; Biochemistry; Condensation & Active Esterification; Coupling Reactions (Peptide Synthesis); Peptide Synthesis; Pyridinium Compounds; Reagents for Oligosaccharide Synthesis; Synthetic Organic Chemistry; C6Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-24/25-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
RIDADR: 1759
WGK Germany: 3
F: 8-21
HazardClass: 8
PackingGroup: III
HS Code: 29333999
2-Chloro-1-methylpyridinium iodide , with CAS number of 14338-32-0, can be called pyridinium, 2-chloro-1-methyl-, iodide (1:1) ; pyridinium, 2-chloro-1-methyl-, iodide ; Mukaiyama's reagent ; N-Methyl-2-chloropyridinium iodide . It is a yellow crystalline solid.
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