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CAS No.: | 20295-64-1 |
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Name: | 2-CHLOROPYRIDINE N-OXIDE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C5H4ClNO.ClH |
Molecular Weight: | 166.007 |
Synonyms: | Pyridine,2-chloro, 1-oxide, compd. with hydrochloric acid (7CI);Pyridine, 2-chloro-,1-oxide, hydrochloride (8CI,9CI); |
EINECS: | 243-712-9 |
Density: | 1.27g/cm3 |
Melting Point: | 140-142 °C(lit.) |
Boiling Point: | 310 °C at 760 mmHg |
Flash Point: | 141.3 °C |
Appearance: | beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 25.46000 |
LogP: | 2.57050 |
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The 2-Chloropyridine-N-oxide hydrochloride with cas registry number of 20295-64-1, belongs to the following product categories: (1)Heterocyclic Compounds; (2)C5Heterocyclic Building Blocks; (3)Halogenated Heterocycles; (4)Heterocyclic Building Blocks; (5)Pyridines. And it has the systematic name of 2-chloropyridine 1-oxide.
Physical properties about this chemical are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.15; (8)ACD/KOC (pH 7.4): 11.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 24.11 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 32.44 cm3; (15)Molar Volume: 101.5 cm3; (16)Polarizability: 12.86×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 52.88 kJ/mol; (19)Vapour Pressure: 0.00113 mmHg at 25°C.
Uses of 2-Chloropyridine-N-oxide hydrochloride: it can be used to produce 2-chloro-pyridine. This reaction will need reagent titanium(0) slurry and solvent tetrahydrofuran. The reaction time is 15 min. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1ccccc1Cl;
(2)InChI: InChI=1/C5H4ClNO/c6-5-3-1-2-4-7(5)8/h1-4H;
(3)InChIKey: WYSRTEVFLQJJDN-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C5H4ClNO/c6-5-3-1-2-4-7(5)8/h1-4H;
(5)Std. InChIKey: WYSRTEVFLQJJDN-UHFFFAOYSA-N