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Name |
Tetrapropyl ammonium chloride |
EINECS | 227-375-5 |
CAS No. | 5810-42-4 | Density | 1.41g/cm3 |
PSA | 0.00000 | LogP | 0.44720 |
Solubility | Soluble in water, acetone | Melting Point |
240-242 °C(lit.) |
Formula | C12H28ClN | Boiling Point | 358.03°C (rough estimate) |
Molecular Weight | 221.814 | Flash Point | N/A |
Transport Information | N/A | Appearance | solid |
Safety | 26-36-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Tetra-n-propylammonium chloride;1-Propanaminium,N,N,N-tripropyl-, chloride (9CI);Ammonium, tetrapropyl-, chloride (8CI);Tetrapropylammonium chloride (6CI,7CI);N,N,N-Tripropyl-1-propanaminiumchloride;1-Propanaminium, N,N,N-tripropyl-, chloride;1-propanaminium, N,N,N-tripropyl-, chloride (1:1);n,n,n-tripropylpropan-1-aminium chloride; |
3,5-bis(bis[(N'-tert-butylureayl)-N-ethyl]aminomethyl)-1H-pyraze
Tetrapropylammonium chloride
water
cobalt(II) chloride
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl; (Ar); a soln. of ligand treated with KH, CoCl2 added, stirred for 30 min, H2O added, stirred for 30 min, N(C3H7)4Cl added, stirred for 1 h; evapd. (vac., at room temp.), washed (Et2O), dried (vac.), dissolved in CH2Cl2, filtered, evapd. (vac.); elem. anal.; | 99% |
acetamide
3,5-bis(bis[(N'-isopropylureayl)-N-ethyl]aminomethyl)-1H-pyraze
Tetrapropylammonium chloride
cobalt(II) chloride
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl; (Ar); a soln. of C3H2N2(CH2N(C2H4NHC(O)NHCH(CH3)2)2)2 treated with KH, CoCl2 added, stirred, acetamide added, stirred, N(C3H7)4Cl added, stirred; evapd. (vac., at room temp.), washed (Et2O), dried (vac.), dissolved in CH2Cl2, filtered, evapd. (vac.); elem. anal.; | 99% |
acetamide
3,5-bis(bis[(N'-tert-butylureayl)-N-ethyl]aminomethyl)-1H-pyraze
Tetrapropylammonium chloride
cobalt(II) chloride
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl; (Ar); a soln. of C3H2N2(CH2N(C2H4NHC(O)NHC(CH3)3)2)2 treated with KH, CoCl2 added, stirred for 30 min, acetamide added, stirred for 30 min, N(C3H7)4Cl added, stirred for 1 h; evapd. (vac., at room temp.), washed (Et2O), dried (vac.), dissolved in CH2Cl2, filtered, evapd. (vac.); | 99% |
N,N-dimethyl acetamide
3,5-bis(bis[(N'-isopropylureayl)-N-ethyl]aminomethyl)-1H-pyraze
Tetrapropylammonium chloride
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl, KCH3COO; (Ar); a soln. of C3H2N2(CH2N(C2H4NHC(O)NHC(CH3)3)2)2 treated with KH, Cosalt added, stirred, N(C3H7)4Cl added, stirred; evapd. (vac., at room temp.), washed (Et2O), dried (vac.), dissolved in CH2Cl2, filtered, evapd. (vac.); elem. anal.; | 99% |
N,N-dimethyl acetamide
3,5-bis(bis[(N'-tert-butylureayl)-N-ethyl]aminomethyl)-1H-pyraze
Tetrapropylammonium chloride
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl, KCH3COO; (Ar); a soln. of C3H2N2(CH2N(C2H4NHC(O)NHC(CH3)3)2)2 treated with KH, Cosalt added, stirred for 30 min, N(C3H7)4Cl added, stirred for 1 h; evapd. (vac., at room temp.), washed (Et2O), dried (vac.), dissolved in CH2Cl2, filtered, evapd. (vac.); elem. anal.; | 99% |
dichloromethane
3-(bis[(N'-tert-butylureaylato)-N-ethyl]aminatomethyl)-5-tert-butyl-1H-pyrazole
Tetrapropylammonium chloride
water
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl; (Ar); a soln. of ligand treated with KH, Co salt added, stirred, filtered, H2O added, stirred for 30 min, N(C3H7)4Cl added, stirred for 1 h; dissolved in CH2Cl2, filtered, evapd. (vac.), washed (Et2O/pentane), dried (vac.); elem. anal.; | 95% |
Tetrapropylammonium chloride
Conditions | Yield |
---|---|
Stage #1: 1,10-bis(phenyliodonium)-closo-decaborate With n-butyllithium In tetrahydrofuran; hexane at -10 - -5℃; for 1h; Inert atmosphere; Stage #2: Tetrapropylammonium chloride Inert atmosphere; | 95% |
dichloromethane
3,5-bis(bis[(N'-isopropylureayl)-N-ethyl]aminomethyl)-1H-pyraze
Tetrapropylammonium chloride
water
cobalt(II) chloride
Conditions | Yield |
---|---|
With KH In N,N-dimethyl acetamide byproducts: KCl; (Ar); a soln. of ligand treated with KH, CoCl2 added, stirred, H2O added, stirred, N(C3H7)4Cl added, stirred; evapd. (vac., at room temp.), washed (Et2O), dried (vac.), dissolved in CH2Cl2, filtered, evapd. (vac.); elem. anal.; | 94% |
Conditions | Yield |
---|---|
In water K3Co(CN)6 in H2O was added under stirring to soln. of ligand and Sn-complex in H2O, 15 min; filtered, washed with H2O, dried at room temp. for ca. 10 h; elem. anal.; | 90% |
Tetrapropylammonium chloride
Conditions | Yield |
---|---|
In water SnFe-complex was reacted with ligand in H2O, stirred for 12 h; filtered, washed with H2O, dried; elem. anal.; | 90% |
The Tetrapropyl ammonium chloride, with the CAS registry number 5810-42-4 and EINECS registry number 227-375-5, has the systematic name of N,N,N-tripropylpropan-1-aminium chloride. And the molecular formula of this chemical is C12H28ClN. It is a kind of hygroscopic solid, and belongs to the following product categories: Quarternary ammonium salts; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts.
The physical properties of Tetrapropyl ammonium chloride are as following: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -2.64; (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: 8; (12)Polar Surface Area: 0 Å2.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].C(C[N+](CCC)(CCC)CCC)C
(2)InChI: InChI=1/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: FBEVECUEMUUFKM-REWHXWOFAR