1-Butylpyridinium chloride supplier

Name
1-Butylpyridinium chloride
EINECS 620-019-3
CAS No. 1124-64-7
Article Data40
CAS DataBase
Density
Solubility Soluble in water.
Melting Point 162 °C
Formula C₉H₁₄ClN
Boiling Point
Molecular Weight 171.67
Flash Point
Transport Information
Appearance White to off-white crystals
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Butylpyridiniumchloride (7CI);Pyridinium, 1-butyl-, chloride (8CI,9CI);Butylpyridiniumchloride;N-(n-Butyl)pyridinium chloride;N-1-Butylpyridinium chloride;N-Butylpyridinium chloride;
PSA 3.88000
LogP -1.22180

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

Product Name

1-Butylpyridinium chloride

1-Butylpyridinium chloride Specification

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