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CAS No.: | 13535-01-8 |
---|---|
Name: | 3-Amino-5-bromopyridine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C5H5BrN2 |
Molecular Weight: | 173.012 |
Synonyms: | 5-bromopyridin-3-amine;3-Amino-5-Bromo Pyridine; |
EINECS: | 629-312-0 |
Density: | 1.71 g/cm3 |
Melting Point: | 65-69 ºC |
Boiling Point: | 287.6 ºC at 760mmHg |
Flash Point: | 127.7 ºC |
Appearance: | Light yellow crystal |
Hazard Symbols: | Xn,Xi,O |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37 |
PSA: | 38.91000 |
LogP: | 2.00750 |
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1.Introduction of 3-Amino-5-bromopyridine
The IUPAC name of 3-Amino-5-bromopyridine is 5-bromopyridin-3-amine. With the CAS registry number 13535-01-8, it is also named as 3-Pyridinamine, 5-bromo-. The product's categories are blocks; bromides; pyridines, pyrimidines, purines and pteredines; pharmacetical; amines; pyridine derivertives; chiral chemicals; boronic acid. It is light yellow crystal which can be used in organic synthesis. Additionally, this chemical can be produced from 3,5-dibromo-pyridine by aminolysis.
2.Properties of 3-Amino-5-bromopyridine
(1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.031; (4)ACD/LogD (pH 7.4): 1.039; (5)ACD/BCF (pH 5.5): 3.557; (6)ACD/BCF (pH 7.4): 3.629; (7)ACD/KOC (pH 5.5): 85.828; (8)ACD/KOC (pH 7.4): 87.552; (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: 52.679 kJ/mol; (18)Vapour Pressure: 0.002 mmHg at 25°C; (19)Exact Mass: 171.963611; (20)MonoIsotopic Mass: 171.963611; (21)Topological Polar Surface Area: 38.9; (22)Heavy Atom Count: 8; (23)Complexity: 76.8.
3.Structure descriptors of 3-Amino-5-bromopyridine
SMILES:c1c(cncc1Br)N
InChI:InChI=1/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKey:MDQXGHBCDCOOSM-UHFFFAOYAI
4.Safety information of 3-Amino-5-bromopyridine
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. 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 and gloves.