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Butylpyridinium chloride

Butylpyridinium chloride structure

CAS No:
1124-64-7
Formula:
C9H14N.Cl
Chemical Name:
Butylpyridinium chloride
Synonyms:
Pyridinium,1-butyl-,chloride (1:1);Pyridinium,1-butyl-,chloride;1-Butylpyridinium chloride;Butylpyridinium chloride;N-Butylpyridinium chloride;N-1-Butylpyridinium chloride;N-(n-Butyl)pyridinium chloride;BPCl;132086-92-1;53288-72-5
Categories:
Chemical Reagents > Organic Reagents

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Butylpyridinium chloride Basic Attributes

Molecular Weight：

171.67

Exact Mass：

171.081482

EC Number：

1533716-785-6

UNII：

F8M63J351A

DSSTox ID：

DTXSID1031462

HScode：

2933399090

Characteristics

PSA：

3.9

Appearance：

Crystalline

Melting Point：

86.4 °C

Water Solubility：

soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

hazard class code：

36/37/38-36/38

safety instructions：

37/39-26-24/25

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

Drug Information

MeSH Entry Terms：

BPPF6 cpd

Butylpyridinium chloride Use and Manufacturing

The ionic liquid [BuPyCl]Al2Cl6 was synthesizedby the reaction of N-butylpyridinium chloride BuPyCl (0.2 mol) with AlCl3 (0.4 mol), both being dissolved in CH2Cl2 (100 mL) with further removal ofthe solvent using a rotor evaporator. The volume of benzene taken for the synthesis of polymers was 1 mL.1Butylpyridinium chloride [BPy][Cl] (0.2580 g, 1.46 mmol) wasdissolved in 15 mL of methanol and to this solution the ionexchange resin Amberlyst A26 (OH-) (9.13 mL, 7.3 mmol) wasadded and it was kept in stirring for 1 h in order to exchange thechloride to the hydroxide form. The resin was filtered and washedwith methanol. To the resultant filtrate, H3PMo12O40 (0.973 g, 0.53 mmol) in methanol was slowly added, a yellow precipitateimmediately formed and the mixture was stirred at room temperaturefor 1 h. The product was filtered, washed several times withmethanol and dried in the oven at 80 C overnight (1.05 g, 89%). 1H NMR (400.13 MHz, DMSO d6, 25C) delta = 9.10 (d, J = 4.0 Hz, 2H), 8.63 (t, J = 8.0 Hz, 1H), 8.19 (t, J = 8.0 Hz, 2H), 4.63(t, J = 8.0 Hz, 2H), 1.95 (m, J = 8.0 Hz, 2H), 1.31 (m, 2H), 0.94(t, J = 8.0 Hz, 3H) ppm. 31P NMR (162 MHz, CD3CN, 25 C)delta = -2.09 ppm. Selected FTIR (cm-1, KBr): 3124 (w), 3080 (w), 3063 (w), 2963 (w), 2929 (w), 2869 (w), 1632 (s), 1581(w), 1485 (s), 1462 (m), 1384 (w), 1316 (w), 1278 (w), 1209 (w), 1168 (m), 1063 (vs), 956 (vs), 878 (s), 795 (s), 682 (s), 644 (w), 594 (w), 504 (m). Anal. Calc. for (C9H14N)3PMo12O40 (2230.87): C, 15.04; H, 1.88; N, 1.87; Found: C, 14.76; H, 1.85; N, 1.87

Computed Properties

Molecular Weight:171.67
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:171.0814771
Monoisotopic Mass:171.0814771
Topological Polar Surface Area:3.9
Heavy Atom Count:11
Complexity:74.8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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