Basic information
- Name:
3-Pyridinamine,6-chloro-
- Superlist Name:
- 5-Amino-2-chloropyridine
- CAS No.:
5350-93-6
- Molecular Structure:
- Formula:
- C5H5ClN2
- Molecular Weight:
- 128.56
- Synonyms:
- Pyridine,5-amino-2-chloro- (6CI,8CI);2-Chloro-5-aminopyridine;6-Chloro-3-aminopyridine;6-Chloropyridin-3-ylamine;NSC 81;6-Chloro-pyridin-3-ylamine;3-Amino-6-chloropyridine;
- EINECS:
- 226-322-3
- Density:
- 1.326 g/cm3
- Melting Point:
- 80-84 °C
- Boiling Point:
- 292.6 °C at 760 mmHg
- Flash Point:
- 130.7 °C
- Appearance:
- light yellow to brown crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-37/39 Details
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Standards and Recommendations
Specification
The IUPAC name of 5-Amino-2-chloropyridine is 6-chloropyridin-3-amine. With the CAS registry number 5350-93-6, it is also named as 3-Pyridinamine, 6-chloro-. The product's categories are Pyridine; Amines; Blocks; Pyridines; Pyridine Derivative; Pyridine Series; Chloropyridines; Halopyridines; Boronic Acid; Heterocyclic Building Blocks. It is light yellow to brown crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 2.73; (7)ACD/KOC (pH 5.5): 71.41; (8)ACD/KOC (pH 7.4): 71.44; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 33.47 cm3; (14)Molar Volume: 96.8 cm3; (15)Polarizability: 13.27×10-24 cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Enthalpy of Vaporization: 53.21 kJ/mol; (18)Vapour Pressure: 0.00182 mmHg at 25°C; (19)Exact Mass: 128.014126; (20)MonoIsotopic Mass: 128.014126; (21)Topological Polar Surface Area: 38.9; (22)Heavy Atom Count: 8; (23)Complexity: 76.8.
Preparation of 5-Amino-2-chloropyridine: It can be obtained by 2-chloro-5-nitro-pyridine. This reaction needs reagents SnCl2(H2O)2 and HCl. The yield is 92%.
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Uses of 5-Amino-2-chloropyridine: It is used in organic synthesis. For example: it can react with 2-chloro-nicotinoyl chloride to get 2-Chloro-N-(2'-chloro-5'-pyridinyl)pyridine-3-carboxamide. This reaction needs solvents CHCl3 and ethyl acetate at ambient temperature. The yield is 99%.
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When you are using this chemical, please be cautious about it as the following:
It is 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, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(ncc1N)Cl
2. InChI:InChI=1/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
3. InChIKey:QAJYCQZQLVENRZ-UHFFFAOYAI
