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CAS No.: | 7598-35-8 |
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Name: | 4-Amino-2-bromopyridine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C5H5BrN2 |
Molecular Weight: | 173.012 |
Synonyms: | Pyridine,4-amino-2-bromo- (6CI,7CI,8CI);2-Bromo-4-aminopyridine;2-Bromopyridin-4-amine;2-Bromopyridin-4-ylamine;NSC404690; |
EINECS: | -0 |
Density: | 1.71 g/cm3 |
Melting Point: | 92-96 °C |
Boiling Point: | 321.3 °C at 760 mmHg |
Flash Point: | 148.1 °C |
Solubility: | Slightly soluble in water. |
Appearance: | Light yellow crystal |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-37/38-41-36/37/38-20/21/22 |
Safety: | 26-36/37/39-36/37/38-36 |
PSA: | 38.91000 |
LogP: | 2.00750 |
2-bromo-4-nitropyridine N-oxide
2-bromo-4-aminopyridine
Conditions | Yield |
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With iron In acetic acid at 100℃; | 100% |
With iron In acetic acid | 90% |
With iron; acetic acid |
Conditions | Yield |
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With titanium for 0.25h; | 97% |
Conditions | Yield |
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With N-Bromosuccinimide In tetrachloromethane at 20℃; for 48h; Darkness; | A n/a B 55% |
Conditions | Yield |
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With ammonium hydroxide at 160℃; |
Conditions | Yield |
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at 160℃; |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: perbenzoic acid / CHCl3 / 72 h / Ambient temperature 2: 77 percent / 96percent H2SO4, 96percent HNO3 / 3 h / 130 °C 3: 90 percent / iron powder / acetic acid View Scheme |
2-bromopyridine-N-oxide
2-bromo-4-aminopyridine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / 96percent H2SO4, 96percent HNO3 / 3 h / 130 °C 2: 90 percent / iron powder / acetic acid View Scheme | |
Multi-step reaction with 2 steps 1: concentrated sulfuric acid; nitric acid 2: iron-powder; acetic acid View Scheme | |
Multi-step reaction with 2 steps 1: concentrated sulfuric acid; nitric acid 2: FeSO4; concentrated aqueous NH3 View Scheme |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: phosphoryl bromide / 130 °C 2: aqueous NH3 / 160 °C View Scheme |
Conditions | Yield |
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In acetic acid | |
With ammonium chloride In ethanol |
Conditions | Yield |
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With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; carbon dioxide In water; acetonitrile at 70℃; under 23257.6 Torr; for 24h; Reagent/catalyst; Pressure; Suzuki Coupling; Inert atmosphere; | 99% |
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 110℃; Sealed tube; | 61.8% |
With tetrakis(triphenylphosphine) palladium(0); sodium hydrogencarbonate In 1,2-dimethoxyethane; water Suzuki Coupling; Reflux; Inert atmosphere; | 44% |
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The IUPAC name of 2-Bromo-4-aminopyridine is 2-bromopyridin-4-amine. With the CAS registry number 7598-35-8, it is also named as 4-Pyridinamine, 2-bromo-. The product's categories are pyridine; pyridines, pyrimidines, purines and pteredines; pyridine series; amines; pyridines; pyridines derivates. It is light yellow crystal which should be stored in the sealed container.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 6.06; (6)ACD/BCF (pH 7.4): 7.52; (7)ACD/KOC (pH 5.5): 118.85; (8)ACD/KOC (pH 7.4): 147.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 36.27 cm3; (14)Molar Volume: 101.1 cm3; (15)Polarizability: 14.37 10-24 cm3; (16)Surface Tension: 56.9 dyne/cm; (17)Enthalpy of Vaporization: 56.3 kJ/mol; (18)Vapour Pressure: 0.000301 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 171.963611; (21)MonoIsotopic Mass: 171.963611; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 8; (24)Complexity: 76.8.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin, particularly risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: c1cnc(cc1N)Br;
2. InChI: InChI=1/C5H5BrN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8).