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Cas Database |
| Name |
2-(4-Aminophenyl)-1H-benzimidazol-5-amine |
EINECS | 231-538-6 |
| CAS No. | 7621-86-5 | Density | 1.359 g/cm3 |
| PSA | 80.72000 | LogP | 3.55670 |
| Solubility | N/A | Melting Point |
234.0 to 238.0 °C |
| Formula | C13H12N4 | Boiling Point | 545.5 °C at 760 mmHg |
| Molecular Weight | 224.265 | Flash Point | 317.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(4-Aminophenyl)-5-aminobenzimidazole;5(6)-Amino-2-(p-aminophenyl)benzimidazole;5-Amino-2-(4-aminophenyl)benzimidazole;1H-Benzimidazol-5-amine,2-(4-aminophenyl)- (9CI);Benzimidazole, 5(or 6)-amino-2-(p-aminophenyl)-(6CI);Benzimidazole, 5-amino-2-(p-aminophenyl)- (8CI); |
Article Data | 21 |
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Synthetic route
| Conditions | Yield |
|---|---|
| With sodium sulfide; phosphoric acid In water at 100℃; for 12h; pH=< 1; | 96% |
| With hydrogenchloride; tin(ll) chloride |
- 37632-91-0
2',4',4-trinitrobenzanilide
- 7621-86-5
2-(4-aminophenyl)-5-amino-benzimidazole
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon; hydrogen In ethanol at 80℃; under 60006 Torr; for 5h; Autoclave; | 93.5% |
| With hydrogenchloride; tin(ll) chloride | |
| With hydrogenchloride; tin(ll) chloride | |
| Multi-step reaction with 2 steps 1: hydrogenchloride; iron / 90 - 95 °C 2: 250 °C / im Vakuum View Scheme |
- 60779-50-2
2',4',4-Triaminobenzanilide
- 7621-86-5
2-(4-aminophenyl)-5-amino-benzimidazole
| Conditions | Yield |
|---|---|
| at 250℃; im Vakuum; | |
| at 250℃; im Vakuum; |
- 7647-01-0
hydrogenchloride
- 37632-91-0
2',4',4-trinitrobenzanilide
- 7621-86-5
2-(4-aminophenyl)-5-amino-benzimidazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid; nitric acid / 5 - 10 °C 3: 250 °C / im Vakuum View Scheme | |
| Multi-step reaction with 3 steps 1: sulfuric acid; nitric acid / 5 - 10 °C 2: hydrogenchloride; iron / 90 - 95 °C 3: 250 °C / im Vakuum View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetic acid 2: SnCl2; aqueous methanol.HCl View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetic acid 2: SnCl2; aqueous methanol.HCl View Scheme |
- 615-47-4
benzene-1,2,4-triamine dihydrochloride
- 150-13-0
4-amino-benzoic acid
- 7621-86-5
2-(4-aminophenyl)-5-amino-benzimidazole
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; tin(II) chloride dihdyrate In para-xylene; water for 8.25h; Solvent; Dean-Stark; Reflux; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: Degussa F101 catalyst; hydrogen / ethanol / 2 h / 70 °C / 5171.62 Torr / Autoclave; Inert atmosphere 1.2: 15 °C 2.1: tin(II) chloride dihdyrate; methanesulfonic acid / para-xylene; water / 8.25 h / Dean-Stark; Reflux; Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: boric acid / toluene / 6 h / Reflux 2: 5%-palladium/activated carbon; hydrogen / ethanol / 5 h / 80 °C / 60006 Torr / Autoclave View Scheme |
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Chemical Properties
Molecular Formula: C13H12N4
Molar mass: 224.26 g/mol
EINECS: 231-538-6
Density: 1.359 g/cm3
Flash Point: 317.6 °C
Index of Refraction: 1.787
Boiling Point: 545.5 °C at 760 mmHg
Vapour Pressure: 5.88E-12 mmHg at 25°C
Product categories of 2-(4-Aminophenyl)-5-aminobenzimidazole (CAS NO.7621-86-5): Intermediates of Dyes and Pigments;API intermediates
Structure of 2-(4-Aminophenyl)-5-aminobenzimidazole (CAS NO.7621-86-5):
XLogP3-AA: 1.9
H-Bond Donor: 3
H-Bond Acceptor: 3
IUPAC Name: 2-(4-Aminophenyl)-3H-benzimidazol-5-amine
Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)N
InChI: InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-
7H,14-15H2,(H,16,17)
InChIKey: XAFOTXWPFVZQAZ-UHFFFAOYSA-N
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Uses
2-(4-Aminophenyl)-5-aminobenzimidazole (CAS NO.7621-86-5) has been used for intermediate of dye and pigment.
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Toxicity Data With Reference
| 1. | orl-rat LD50:5 g/kg | GISAAA Gigiena i Sanitariya. 43 (9)(1978),23. | ||
| 2. | orl-mus LD50:5500 mg/kg | GISAAA Gigiena i Sanitariya. 43 (9)(1978),23. |
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Consensus Reports
Reported in EPA TSCA Inventory.
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.
2-(4-Aminophenyl)-1H-benzimidazol-5-amine Specification
2-(4-Aminophenyl)-5-aminobenzimidazole ,its cas register number is 7621-86-5.It also can be called 2-(4-Amino-phenyl)-3H-benzoimidazol-5-ylamine ; 2-(4-Amino-phenyl)-1H-benzoimidazol-5-ylamine ; 2-(4-Aminophenyl)-1H-benzimidazol-2-amine and 1H-Benzimidazol-5-amine, 2- (4-aminophenyl)- .
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