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122-96-3

Basic Information
CAS No.: 122-96-3
Name: 1,4-Piperazinediethanol
Article Data: 44
Cas Database
Molecular Structure:
Molecular Structure of 122-96-3 (1,4-Piperazinediethanol)
Formula: C8H18N2O2
Molecular Weight: 174.243
Synonyms: 1,4-Bis(2-hydroxyethyl)piperazine;1,4-Di(2-hydroxyethyl)piperazine;N,N'-Bis(b-hydroxyethyl)piperazine;N,N'-Di(2-hydroxyethyl)piperazine;NSC 26892;NSC 31268;NSC 36645;1,4-Bis(b-hydroxyethyl)piperazine;
EINECS: 204-586-0
Density: 1.097 g/cm3
Melting Point: 133.5-136 °C(lit.)
Boiling Point: 305.7 °C at 760 mmHg
Flash Point: 166.2 °C
Solubility: Soluble in water.
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
Transport Information: N/A
PSA: 46.94000
LogP: -1.53560
Synthetic route
110-85-0

piperazine

540-51-2

2-bromoethanol

A

103-76-4

1-(2-hydroxyethyl)piperazine

B

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With hydrogenchloride In methanol; water for 2.5h; pH=8.5; pH-value; Reagent/catalyst; Inert atmosphere;A 86.2%
B n/a
111-42-2

2,2'-iminobis[ethanol]

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With hydrogen at 180 - 200℃; under 60006 Torr; for 10h; Product distribution / selectivity; Autoclave; Inert atmosphere;79%
With water at 150℃; under 26478.3 Torr; Anfangsdruck, unter CO2;
With phosphoric acid at 250℃; unter CO2;
103-76-4

1-(2-hydroxyethyl)piperazine

540-51-2

2-bromoethanol

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile for 18h; Reflux; Inert atmosphere;45%
141-43-5

ethanolamine

A

103-76-4

1-(2-hydroxyethyl)piperazine

B

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydrogencarbonate In water at 140℃; for 96h; Inert atmosphere; Heating;A 30%
B 27%
75-21-8

oxirane

110-85-0

piperazine

A

103-76-4

1-(2-hydroxyethyl)piperazine

B

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With methanol
With methanol
75-21-8

oxirane

110-85-0

piperazine

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With methanol
Yield given;
110-85-0

piperazine

107-07-3

2-chloro-ethanol

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
at 105℃;
With ethanol
140-29-4

phenylacetonitrile

111-42-2

2,2'-iminobis[ethanol]

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
auf Siedetemperatur;
141-43-5

ethanolamine

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With sodium carbonate; ethylene dibromide
107-15-3

ethylenediamine

107-07-3

2-chloro-ethanol

122-96-3

1,4-bis(2-hydroxyethyl)piperazine

Conditions
ConditionsYield
With water
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  • N,N'-Di(2-Hydroxyethyl)piperazine  Cas no.122-96-3 98%

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  • 2,2'-(Piperazine-1,4-diyl)diethanol

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    122-96-3

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  • N,N'-Bis(2-hydroxyethyl)piperazine CAS 122-96-3

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  • 1,4-Piperazinediethanol

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    122-96-3

    1,4-Piperazinediethanol

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  • 1,4-bis(2-hydroxyethyl)piperazine

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of 1,4-Piperazinediethanol is 122-96-3. The IUPAC name is with the molecular formula C8H18N2O2. In addition, it is a white crystalline powder which can be used as chemical reagents and organic intermediates. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: -1.14; (2)ACD/LogD (pH 5.5): -2.28; (3)ACD/LogD (pH 7.4): -1.21; (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): 4.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 24.94 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 47.3 cm3; (14)Molar Volume: 158.7 cm3; (15)Polarizability: 18.75 ×10-24cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.097 g/cm3; (18)Flash Point: 166.2 °C; (19)Enthalpy of Vaporization: 63.34 kJ/mol; (20)Boiling Point: 305.7 °C at 760 mmHg; (21)Vapour Pressure: 7.58E-05 mmHg at 25°C.

Uses of 1,4-Piperazinediethanol: it can be used to get 1,4-bis-(2-chloro-ethyl)-piperazine; dihydrochloride. This reaction will need reagent SOCl2 and solvents dimethylformamide and CHCl3. The reaction time is 6.5 hours by heating. The yield is about 88%.

1,4-Piperazinediethanol can be used to get 1,4-bis-(2-chloro-ethyl)-piperazine; dihydrochloride

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN1CCN(CC1)CCO
(2)Std. InChI: InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
(3)Std. InChIKey: VARKIGWTYBUWNT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 10mL/kg (10mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3730uL/kg (3.73mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.