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| CAS No.: | 1121-76-2 |
|---|---|
| Name: | 4-Chloropyridine N-oxide |
| Molecular Structure: | |
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| Formula: | C5H4ClNO |
| Molecular Weight: | 129.546 |
| Synonyms: | 4-Chloropyridine 1-oxide;Pyridine,4-chloro-, oxide (6CI);TH 285N;NSC 5074;4-Chloropyridine oxide;4-Chloropyridine 1-oxide; |
| EINECS: | 214-336-2 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 160 °C (dec.)(lit.) |
| Boiling Point: | 310 °C at 760 mmHg |
| Flash Point: | 141.3 °C |
| Appearance: | White to off-white powder |
| Hazard Symbols: |
 Xi;  Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 25.46000 |
| LogP: | 1.76850 |
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Specification
The 4-Chloropyridine N-oxide, with the CAS registry number 1121-76-2 and EINECS registry number 214-336-2, has the systematic name of 4-chloropyridine 1-oxide. It is a kind of white to off-white powder, and belongs to the following product categories: Pyridine; Heterocyclic Compounds; C5; Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. And the molecular formula of this chemical is C5H4ClNO. What's more, it should be stored in the refrigerator.
The physical properties of 4-Chloropyridine N-oxide are as following: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.79; (8)ACD/KOC (pH 7.4): 13.79; (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)Density: 1.27 g/cm3; (19)Flash Point: 141.3 °C; (20)Enthalpy of Vaporization: 52.88 kJ/mol; (21)Boiling Point: 310 °C at 760 mmHg; (22)Vapour Pressure: 0.00113 mmHg at 25°C.
Preparation and uses of 4-Chloropyridine N-oxide: It can be prepared by 4-nitro-pyridine-N-oxide and concentrated hydrochloric acid or acetyl chloride. And it is usually used in the organic synthesis.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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+]1ccc(Cl)cc1
(2)InChI: InChI=1/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
(3)InChIKey: DPJVRASYWYOFSJ-UHFFFAOYAE