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Name	Ethanol,2,2',2''-nitrilotris-, hydriodide (9CI)	EINECS	231-508-2
CAS No.	7601-53-8	Density	N/A
PSA	63.93000	LogP	-0.73650
Solubility	N/A	Melting Point	168 °C
Formula	C₆H₁₆INO₃	Boiling Point	335.4 °C at 760 mmHg
Molecular Weight	277.102	Flash Point	185 °C
Transport Information	N/A	Appearance	white crystalline powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Ethanol,2,2',2''-nitrilotri-, hydriodide (8CI);Triethanolamine hydroiodide;Triethanolammonium iodide;	Article Data	4

Ethanol,2,2',2''-nitrilotris-, hydriodide (9CI) Synthetic route

: 52741-69-2
1-(iodomethyl)silatrane

: 103-85-5
monophenylthiourea

: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

Conditions

Conditions	Yield
In butan-1-ol for 12h; Heating;	87%

: C11H18N2O3SSi*HI

: 102-71-6
triethanolamine

A: 1-phenyl-2-(2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undec-1-ylmethyl)-isothiourea; hydriodide

B: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

Conditions

Conditions	Yield
In chloroform	A 83% B n/a

: 556-56-9
allyl iodid

: 67453-19-4
germatrane

A: 70559-36-3
1-iodogermatrane

B: 84664-63-1
allylgermatrane

C: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

Conditions

Conditions	Yield
In benzene under dry N2; mixt. boiled for 35 min; cooled; triethanolamine hydriodide isolated; a mixt. pptd. by evapn. of filtrat;e; recrystd. from hexane and allylgermatrane isolated;	A n/a B 13% C 50%

: 102-71-6
triethanolamine

: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

Conditions

Conditions	Yield
With hydrogen iodide In water pH=~ 7;
With ammonium iodide

: 42003-39-4
1-(chloromethyl)silatrane

: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 74 percent / NaI / dimethylformamide / 2.5 h / 20 - 140 °C 2: 87 percent / butan-1-ol / 12 h / Heating View Scheme

: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

: 7790-44-5
antimony triiodide

: [triethanolammonium]4[Sb4I16]

Conditions

Conditions	Yield
In dimethyl sulfoxide keeping of mixt. of triethanolammonium iodide, antimony iodide and acetone at room temp. for 24 h; filtration, concn., crystn.; elem. anal.;	92%

: 7601-53-8
tris(2-hydroxyethyl)amine hydroiodide

: 7787-64-6
bismuth(III) iodide

: triethanolammonium bis(μ3-iodo)tetrakis(μ2-iodo)decaiodotetrabismuthate(III)

Conditions

Conditions	Yield
In acetone mixt. of equimolar amt. of ammonium salt and BiI3 in acetone was stirredfor 1 h at 20°C; soln. evapd. for 24 h; elem. anal.;	91%

Ethanol,2,2',2''-nitrilotris-, hydriodide (9CI) Specification

The Ethanol,2,2',2''-nitrilotris-, hydriodide (9CI) is an organic compound with the formula C₆H₁₆INO₃. The systematic name of this chemical is 2,2',2''-nitrilotriethanol hydroiodide. With the CAS registry number 7601-53-8, it is also named as Triethanolamine hydroiodide.

Physical properties about Ethanol,2,2',2''-nitrilotris-, hydriodide (9CI) are: (1)ACD/LogP: -1.11; (2)ACD/LogD (pH 5.5): -3.39; (3)ACD/LogD (pH 7.4): -1.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.57; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 30.93 Å²; (12)Flash Point: 185 °C; (13)Enthalpy of Vaporization: 67.02 kJ/mol; (14)Boiling Point: 335.4 °C at 760 mmHg; (15)Vapour Pressure: 8.38E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: I.OCCN(CCO)CCO
(2)InChI: InChI=1/C6H15NO3.HI/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
(3)InChIKey: AHJXIGQHVVYEGR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H15NO3.HI/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
(5)Std. InChIKey: AHJXIGQHVVYEGR-UHFFFAOYSA-N

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