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1-Butylpyridinium chloride

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Name

1-Butylpyridinium chloride

EINECS 620-019-3
CAS No. 1124-64-7 Density N/A
PSA 3.88000 LogP -1.22180
Solubility Soluble in water. Melting Point 162 °C
Formula C9H14ClN Boiling Point N/A
Molecular Weight 171.67 Flash Point N/A
Transport Information N/A Appearance White to off-white crystals
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1124-64-7 (1-Butylpyridinium chloride) Hazard Symbols IrritantXi
Synonyms

1-Butylpyridiniumchloride (7CI);Pyridinium, 1-butyl-, chloride (8CI,9CI);Butylpyridiniumchloride;N-(n-Butyl)pyridinium chloride;N-1-Butylpyridinium chloride;N-Butylpyridinium chloride;

Article Data 40

1-Butylpyridinium chloride Specification

The 1-Butylpyridinium chloride, with the cas registry number 1124-64-7, is also called pyridinium, N-butyl-, chloride. The molecular formula of the chemical is C9H14ClN. It belongs to the following product categories: Ionic Liquids; Pyridinium Compounds (Ionic Liquids); Pyridinium Compounds; Synthetic Organic Chemistry. 

The characteristics of this chemical are as followings: (1)ACD/LogP: -3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -3.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.88 Å2.

Preparation of 1-Butylpyridinium chloride: This chemical can be prepared by pyridine and 1-chloro-butane. The reaction time is 3 days with heating, and the yield is about 37.2%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
      
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].[n+]1(ccccc1)CCCC
(2)InChI: InChI=1/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
(3)InChIKey: POKOASTYJWUQJG-REWHXWOFAZ

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