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CAS No.: | 13534-98-0 |
---|---|
Name: | 4-Amino-3-bromopyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H5BrN2 |
Molecular Weight: | 173.012 |
Synonyms: | Pyridine,4-amino-3-bromo- (6CI,7CI,8CI);3-Bromo-4-aminopyridine;3-Bromo-4-pyridinamine;3-bromopyridin-4-amine; |
EINECS: | -0 |
Density: | 1.71 g/cm3 |
Melting Point: | 67-71 °C |
Boiling Point: | 275.83 °C at 760 mmHg |
Flash Point: | 120.6 °C |
Appearance: | light brown powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-41-37/38-22 |
Safety: | 26-36/37/39-37/39-39 |
PSA: | 38.91000 |
LogP: | 2.00750 |
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The 4-Amino-3-bromopyridine is an organic compound with the formula C5H5BrN2. The IUPAC name of this chemical is 3-bromopyridin-4-amine. With the CAS registry number 13534-98-0, it is also named as 3-Bromo-4-aminopyridine. The product's categories are Pyridine; Amines; Pyridines. It is light brown powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool, well-ventilated and dry place.
The other characteristics of 4-Amino-3-bromopyridine can be summarized as: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.037; (4)ACD/LogD (pH 7.4): 1.426; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.469; (7)ACD/KOC (pH 5.5): 4.809; (8)ACD/KOC (pH 7.4): 117.781; (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: 101.122 cm3; (15)Polarizability: 14.379×10-24 cm3; (16)Surface Tension: 56.917 dyne/cm; (17)Enthalpy of Vaporization: 51.43 kJ/mol; (18)Vapour Pressure: 0.005 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 not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. What's more, it has 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:c1cncc(c1N)Br
2. InChI:InChI=1/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
3. InChIKey:DDQYSZWFFXOXER-UHFFFAOYAF