- 4-Aminobenzamidine
- 4-Aminobenzamidine dihydrochloride
- 4-Aminobenzamidine hydrochloride
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Cas Database |
| Name |
4-Aminobenzamidine dihydrochloride |
EINECS | 219-692-2 |
| CAS No. | 2498-50-2 | Density | 1.26g/cm3 |
| PSA | 75.89000 | LogP | 3.53810 |
| Solubility | N/A | Melting Point |
>300 °C(lit.) |
| Formula | C7H11Cl2N3 | Boiling Point | 289.8 °C at 760 mmHg |
| Molecular Weight | 208.09 | Flash Point | 129 °C |
| Transport Information | N/A | Appearance | white to yellowish fine crystalline powder |
| Safety | 26-37/39-36 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  Xn
|
| Synonyms |
Benzamidine,p-amino-, dihydrochloride (6CI,7CI,8CI);Benzenecarboximidamide, 4-amino-,dihydrochloride (9CI);4-Amidinoaniline dihydrochloride;p-Aminobenzamidine dihydrochloride; |
Article Data | 9 |
4-Aminobenzamidine dihydrochloride Synthetic route
- 35704-19-9
N-(4-cyanophenyl)acetamide
- 2498-50-2
4-aminobenzamidine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: N-(4-cyanophenyl)acetamide With sodium amide In dimethyl sulfoxide at 20 - 80℃; for 1.5h; Large scale; Stage #2: With hydrogenchloride In ethanol; dimethyl sulfoxide at 0℃; for 1.5h; pH=3 - 4; Solvent; Reagent/catalyst; Temperature; Large scale; | 97.8% |
- 25412-75-3
4-nitrobenzamidine
- 2498-50-2
4-aminobenzamidine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 4-nitrobenzamidine With iron; acetic acid In ethanol; water at 60 - 80℃; for 4h; Stage #2: With hydrogenchloride In ethanol; water Reagent/catalyst; | 94.7% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: hydrogenchloride / 16 h / -10 - 40 °C / Inert atmosphere 2.1: ammonia / ethanol / 2 h / 20 - 40 °C / Inert atmosphere 2.2: 0.5 h / 60 - 70 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: hydrogenchloride / -10 - 40 °C / Inert atmosphere 2.1: ammonia / ethanol / 2 h / 20 - 40 °C / Inert atmosphere 2.2: 0.5 h / 60 - 70 °C View Scheme |
- 2498-50-2
4-aminobenzamidine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: C8H10N2O*2ClH With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; Solvent; Temperature; | 18.3 g |
| Stage #1: C8H10N2O*2ClH With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; | 18.3 g |
- 2498-50-2
4-aminobenzamidine dihydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: ethyl 4-aminobenzimidate dihydrochloride With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; Solvent; Temperature; | 22.6 g |
| Stage #1: ethyl 4-aminobenzimidate dihydrochloride With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; | 22.6 g |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: thionyl chloride / 20 h / 20 °C / Inert atmosphere 2: ammonium carbonate / ethanol / 20 h / 20 °C / Inert atmosphere 3: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C View Scheme | |
| Multi-step reaction with 3 steps 1: thionyl chloride / 24 h / 20 °C / Inert atmosphere 2: ammonium carbonate / methanol / 16 h / 20 °C / Inert atmosphere 3: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C View Scheme |
- 52708-02-8
4-nitrobenzimidic acid methyl ester
- 2498-50-2
4-aminobenzamidine dihydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ammonium carbonate / methanol / 16 h / 20 °C / Inert atmosphere 2: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C View Scheme |
- 67-56-1
methanol
- 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile
- 284044-35-5
4-isopropoxy-5-ethoxy-benzaldehyde
- 2498-50-2
4-aminobenzamidine dihydrochloride
- 883574-18-3
(4-Carbamimidoylphenylamino)-(3-ethoxy-4-isopropoxyphenyl)acetic acid methyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 4-isopropoxy-5-ethoxy-benzaldehyde; 4-aminobenzamidine dihydrochloride In methanol at 60℃; for 0.5h; Stage #2: methanol; [(p-methylphenyl)sulfonylmethyl]isonitrile; boron trifluoride diethyl etherate at 0 - 20℃; Stage #3: With ammonia; water In ethyl acetate | 100% |
- 6092-54-2
n-hexyl chloroformate
- 2498-50-2
4-aminobenzamidine dihydrochloride
- 1307233-93-7
4-aminobenzamidine-N-hexylcarbamate hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: n-hexyl chloroformate; 4-aminobenzamidine dihydrochloride With sodium hydroxide In acetone at 5 - 20℃; for 0.25h; Stage #2: With hydrogenchloride In water | 97.2% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In isopropyl alcohol at 0 - 20℃; for 31h; Stage #2: methanesulfonic acid In methanol; isopropyl alcohol at 0 - 20℃; for 1h; | 94% |
| Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In isopropyl alcohol at 20℃; for 13h; Large scale; Stage #2: methanesulfonic acid In methanol Large scale; | 93% |
4-Aminobenzamidine dihydrochloride Chemical Properties
Molecular Structure of 4-Aminobenzamidine dihydrochloride (CAS NO.2498-50-2):
IUPAC Name: 4-aminobenzenecarboximidamide dihydrochloride
CAS: 2498-50-2
Molecular Formula: C7H11Cl2N3
Molecular Weight: 208.09
EINECS: 219-692-2
Storage temp: 2-8°C
Sensitive: Hygroscopic
BRN: 3692927
Index of Refraction: 1.629
Molar Refractivity: 37.99 cm3
Molar Volume: 106.8 cm3
Polarizability: 15.06 10-24cm3
Surface Tension: 55.2 dyne/cm
Density: 1.26 g/cm3
Flash Point: 129 °C
Enthalpy of Vaporization: 52.91 kJ/mol
Boiling Point: 289.8 °C at 760 mmHg
Vapour Pressure: 0.00216 mmHg at 25°C
Melring point: >300 °C(lit.)
Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Amines; Miscellaneous; Broad Spectrum Inhibitors of Proteolytic Enzyme Classes; Other Fluorescent LabelsEnzyme Inhibitors; Protease InhibitorsFluorescent Stains; Protein Stains; Protein Stains For SpectroscopyProtease Inhibitors; Serine Protease Inhibitors; Fluorescent Labels; Fluorescent Probes, Labels, Particles and Stains; Protease Inhibitors; Imines/AmidinesFluorescent Probes, Labels, Particles and Stains; Nitrogen Compounds; Organic Building Blocks; Other Fluorescent Labels
4-Aminobenzamidine dihydrochloride Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36/37/38-22 (36/37/38: Irritating to eyes, respiratory system and skin 22: Harmful if swallowed)
Safety Statements: 26-37/39-36 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 37/39: Wear suitable gloves and eye/face protection 36: Wear suitable protective clothing)
WGK Germany: 3
F: 3-10-21
4-Aminobenzamidine dihydrochloride Specification
4-Aminobenzamidine dihydrochloride (CAS NO.2498-50-2) is also named as p-amino-benzamidindihydrochloride ; 4-amino-benzenecarboximidamiddihydrochloride ; 4-aminobenzenecarboximidamidedihydrochloride ; Benzamidine, p-amino-, dihydrochloride ; 4-aminobenzenecarboximidamide dihydrochloride .It is a white needle, commonly used as pharmaceutical intermediate.
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