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CAS No.: | 4506-66-5 |
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Name: | 1,2,4,5-Benzenetetramine tetrahydrochloride |
Article Data: | 2 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 104.08000 |
LogP: | 5.54820 |
Conditions | Yield |
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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; |
1,2,4,5-benzenetetraamine tetrahydrochloride
1,2,4,5-tetraminobenzene 2,5-dihydroxyterephthalic acid
Conditions | Yield |
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With tin; sodium dithionite; sodium hydroxide In water at 15 - 55℃; for 2.25h; Product distribution / selectivity; Inert atmosphere; | 100% |
1,2,4,5-benzenetetraamine tetrahydrochloride
2-chloro-1,3-dimethylimidazolinium chloride
N1,N2,N4,N5-tetrakis(1,3-dimethylimidazolidin-2-ylidene)benzene-1,2,4,5-tetraamine
Conditions | Yield |
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With triethylamine In acetonitrile at 0℃; for 1.5h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
In water for 7h; Reflux; Inert atmosphere; | 100% |
2,7-dibromo-phenanthrene-9,10-dione
1,2,4,5-benzenetetraamine tetrahydrochloride
Conditions | Yield |
---|---|
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; |
formic acid
1,2,4,5-benzenetetraamine tetrahydrochloride
Benzo<1,2-d;4,5-d'>diimidazole
Conditions | Yield |
---|---|
With hydrogenchloride In water for 16h; Reflux; | 98% |
at 100℃; for 36h; | 96% |
at 100℃; for 24h; | 96% |
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water at 160℃; for 0.75h; Microwave irradiation; | 98% |
2,2-dimethylbutanoyl chloride
1,2,4,5-benzenetetraamine tetrahydrochloride
1,2,4,5-tetra(2,2-dimethylbutyrylamido)benzene
Conditions | Yield |
---|---|
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% |
1,2,4,5-benzenetetraamine tetrahydrochloride
di(2-azulenyl)ethanedione
6,7-diamino-2,3-(2-azulenyl)quinoxaline
Conditions | Yield |
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With pyridine In ethanol for 1h; Reflux; | 94% |
1,2,4,5-benzenetetraamine tetrahydrochloride
2-acetoxy-2-methylpropanoyl chloride
Conditions | Yield |
---|---|
With triethylamine In 1,2-dichloro-ethane for 1h; Heating; | 93.5% |
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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