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CAS No.: | 3283-07-6 |
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Name: | N,N,N',N'-Tetrakis(4-aminophenyl)-1,4-benzenediamine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C30H28N6 |
Molecular Weight: | 472.593 |
Synonyms: | p-Phenylenediamine,N,N,N',N'-tetrakis(p-aminophenyl)- (7CI,8CI);N,N,N',N'-Tetrakis(p-aminophenyl)-p-phenylenediamine; |
Density: | 1.31 g/cm3 |
Melting Point: | >300 °C |
Boiling Point: | 765.6 °C at 760 mmHg |
Flash Point: | 409.3 °C |
Appearance: | Kelly powder |
Risk Codes: | 20/21/22 |
Safety: | 22-36/37/39 |
PSA: | 110.56000 |
LogP: | 9.27980 |
N1,N1,N4,N4-tetrakis(4-nitrophenyl)-p-phenylenediamine
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
Conditions | Yield |
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With iron(III) chloride; iron(III) oxide; pyrographite; hydrazine In water; N-methylpyrrolidine N-oxide at 100 - 110℃; for 6h; Product distribution / selectivity; | 99% |
With hydrazine; iron(III) chloride; pyrographite In 1-methyl-pyrrolidin-2-one; isopropyl alcohol at 100 - 110℃; for 6h; | 98% |
With iron(III) chloride; pyrographite; hydrazine In 1-methyl-pyrrolidin-2-one; water; isopropyl alcohol at 100 - 110℃; for 6h; Product distribution / selectivity; | 98% |
1-iodo-butane
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
N,N,N’,N’-tetrakis[p-di(butyl)aminophenyl]-p-phenylene
Conditions | Yield |
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With potassium carbonate In 1-methyl-pyrrolidin-2-one at 80 - 93℃; for 4h; | 96% |
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 80 - 93℃; for 4h; Product distribution / selectivity; | 96% |
2,5-dimethyl-1,4-benzenedicarboxaldehyde
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
Conditions | Yield |
---|---|
In ethanol; dichloromethane for 5h; Reflux; | 94% |
1-bromo-butane
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
N,N,N’,N’-tetrakis[p-di(butyl)aminophenyl]-p-phenylene
Conditions | Yield |
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With potassium carbonate In 1-methyl-pyrrolidin-2-one at 80 - 96℃; for 6h; Product distribution / selectivity; | 89% |
Conditions | Yield |
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at 40 - 50℃; | 87% |
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
2,5-dimethoxyterephthalaldehyde
Conditions | Yield |
---|---|
In ethanol; dichloromethane for 5h; Reflux; | 80% |
4-Chlorobutyronitrile
n-Butyl chloride
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide at 90 - 130℃; for 4h; |
Conditions | Yield |
---|---|
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 120℃; for 10h; |
Conditions | Yield |
---|---|
Stage #1: N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine; acrylic acid at 50 - 60℃; for 4h; Stage #2: With sodium hydrogencarbonate In water for 1h; |
4-Chlorobutyronitrile
n-Butyl chloride
N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine
Conditions | Yield |
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Stage #1: 4-Chlorobutyronitrile; n-Butyl chloride; N1,N1,N4,N4-tetrakis(4-aminophenyl)-p-phenylenediamine With potassium carbonate; potassium iodide at 90 - 130℃; for 4h; Stage #2: silver hexafluoroantimonate In DMF (N,N-dimethyl-formamide) at 60℃; for 0.5h; |
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The N,N,N',N'-Tetrakis(4-aminophenyl)-1,4-phenylenediamine with the cas number 3283-07-6 is also called 1,4-Benzenediamine,N1,N1,N4,N4-tetrakis(4-aminophenyl)-. The IUPAC name is 4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine. Its molecular formula is C30H28N6. This chemical is kelly powder.
The properties of the chemical are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 78.04; (7)ACD/KOC (pH 5.5): 7.95; (8)ACD/KOC (pH 7.4): 733.89; (9)#H bond acceptors: 6; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 19.44 Å2; (13)Index of Refraction: 1.776; (14)Molar Refractivity: 150.88 cm3; (15)Molar Volume: 360.8 cm3; (16)Polarizability: 59.81×10-24cm3; (17)Surface Tension: 72.3 dyne/cm; (18)Enthalpy of Vaporization: 111.49 kJ/mol; (19)Vapour Pressure: 2.38×10-23 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c5c(N(c1ccc(N)cc1)c2ccc(cc2)N(c3ccc(N)cc3)c4ccc(N)cc4)ccc(N)c5
(2)InChI: InChI=1/C30H28N6/c31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28/h1-20H,31-34H2
(3)InChIKey: LVPYYSKDNVAARK-UHFFFAOYAS