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4506-66-5

Basic Information
CAS No.: 4506-66-5
Name: 1,2,4,5-Benzenetetramine tetrahydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 4506-66-5 (1,2,4,5-Benzenetetramine tetrahydrochloride)
Formula: C6H10N4.4(HCl)
Molecular Weight: 284.016
Synonyms: Benzene-1,2,4,5-tetrayltetraamine tetrahydrochloride;1,2,4,5-Benzenetetramine hydrochloride;1,2,4, 5-Tetraaminobenzene tetrahydrochloride;Benzene-1,2,4,5-tetramine;
EINECS: 224-822-6
Density: 1.401g/cm3
Melting Point: ≥300 °C
Boiling Point: 400.9 °C at 760 mmHg
Flash Point: 233.6 °C
Appearance: dark brown crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 104.08000
LogP: 5.54820
Synthetic route
4987-96-6

1,3-diamino-4,6-dinitrobenzene

4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

Conditions
ConditionsYield
Stage #1: 1,3-diamino-4,6-dinitrobenzene With tin; Degussa F101 catalyst; hydrogen In ethanol at 80.5℃; under 15514.9 Torr; for 2h; Autoclave; Inert atmosphere;
Stage #2: With hydrogenchloride In ethanol; water at 15℃;
81%
Stage #1: 1,3-diamino-4,6-dinitrobenzene With hydrogenchloride In ethanol at 50℃; for 0.166667h; Schlenk technique; Inert atmosphere;
Stage #2: With tin(ll) chloride In ethanol at 86℃; for 2h; Schlenk technique; Inert atmosphere;

dipotassium 2,5-dihydroxyterephthalate

4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

957471-31-7

1,2,4,5-tetraminobenzene 2,5-dihydroxyterephthalic acid

Conditions
ConditionsYield
With tin; sodium dithionite; sodium hydroxide In water at 15 - 55℃; for 2.25h; Product distribution / selectivity; Inert atmosphere;100%
4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

37091-73-9

2-chloro-1,3-dimethylimidazolinium chloride

1258956-31-8

N1,N2,N4,N5-tetrakis(1,3-dimethylimidazolidin-2-ylidene)benzene-1,2,4,5-tetraamine

Conditions
ConditionsYield
With triethylamine In acetonitrile at 0℃; for 1.5h; Inert atmosphere;100%
4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

144-62-7

oxalic acid

C10H6N4O4

Conditions
ConditionsYield
In water for 7h; Reflux; Inert atmosphere;100%
84405-44-7

2,7-dibromo-phenanthrene-9,10-dione

4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

2,7,13,18-tetrabromodibenzo[a,c]dibenzo[5,6:7,8]quinoxalino-[2,3-i]phenazine

Conditions
ConditionsYield
With acetic acid; triethylamine In ethanol at 100 - 130℃; for 6h; Inert atmosphere;100%
With acetic acid; triethylamine In ethanol at 100 - 130℃; for 6h; Inert atmosphere;
64-18-6

formic acid

4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

50738-59-5

Benzo<1,2-d;4,5-d'>diimidazole

Conditions
ConditionsYield
With hydrogenchloride In water for 16h; Reflux;98%
at 100℃; for 36h;96%
at 100℃; for 24h;96%
527-31-1

hexaketocyclohexane

4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

C24H18N12*6ClH

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 160℃; for 0.75h; Microwave irradiation;98%
5856-77-9

2,2-dimethylbutanoyl chloride

4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

1184267-92-2

1,2,4,5-tetra(2,2-dimethylbutyrylamido)benzene

Conditions
ConditionsYield
Stage #1: 2,2-dimethylbutanoyl chloride; 1,2,4,5-benzenetetraamine tetrahydrochloride In dichloromethane for 0.0833333h;
Stage #2: With triethylamine at 20℃; for 18h; Inert atmosphere;
97%
4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

476692-34-9

di(2-azulenyl)ethanedione

1145777-29-2

6,7-diamino-2,3-(2-azulenyl)quinoxaline

Conditions
ConditionsYield
With pyridine In ethanol for 1h; Reflux;94%
4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

40635-66-3

2-acetoxy-2-methylpropanoyl chloride

1,2,4,5-tetrakis(2-acetoxy-2-methylpropanamido)benzene

Conditions
ConditionsYield
With triethylamine In 1,2-dichloro-ethane for 1h; Heating;93.5%
Raw Materials
4987-96-6
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Specification

The IUPAC name of 1,2,4,5-Benzenetetramine tetrahydrochloride is benzene-1,2,4,5-tetramine tetrahydrochloride. With the CAS registry number 4506-66-5, it is also named as 1,2,4,5-Benzenetetramine hydrochloride. Besides, it is dark brown crystals, which should be stored in a sealed, cool and dry place. In addition, its molecular formula is C6H10N4.4(HCl) and molecular weight is 284.01.

The other characteristics of 1,2,4,5-Benzenetetramine tetrahydrochloride can be summarized as: (1)EINECS: 224-822-6; (2)ACD/LogP: -2.71; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -3.34; (5)ACD/LogD (pH 7.4): -2.73; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 8; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 12.96 Å2; (14)Flash Point: 233.6 °C; (15)Melting Point: ≥300 °C; (16)Enthalpy of Vaporization: 65.18 kJ/mol; (17)Boiling Point: 400.9 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-06 mmHg at 25 °C.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.Cl.Cl.Nc1c(cc(N)c(N)c1)N
(2)InChI: InChI=1/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
(3)InChIKey: BZDGCIJWPWHAOF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H
(5)Std. InChIKey: BZDGCIJWPWHAOF-UHFFFAOYSA-N