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Basic information

  • Name:
  • 3-Hydroxy-2-nitropyridine

  • CAS No.:
  • 15128-82-2

  • Molecular Structure:
  • Formula:
  • C5H4N2O3
  • Molecular Weight:
  • 140.09
  • Synonyms:
  • LDP06:2-Nitro-3-Hydroxypyridine;2-Nitro-3-pyridinol;3-Pyridinol, 2-nitro-;2-Nitropyridin-3-ol;
  • EINECS:
  • 239-191-2
  • Density:
  • 1.507 g/cm3
  • Melting Point:
  • 69-71 °C(lit.)
  • Boiling Point:
  • 383.2 °C at 760 mmHg
  • Flash Point:
  • 185.6 °C
  • Appearance:
  • yellow crystalline powder
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-37/39-36 Details

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Specification

The 3-Hydroxy-2-nitropyridine, with the CAS registry number 15128-82-2 and EINECS registry number 239-191-2, has the systematic name of 2-nitropyridin-3-ol. It is a kind of yellow crystalline powder, and belongs to the following product categories: Nitro; Blocks; Nitro Compounds; Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; Pyridines derivates; Chiral chemicals. And the molecular formula of this chemical is C5H4N2O3.

The physical properties of 3-Hydroxy-2-nitropyridine are as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -1.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 32.77 cm3; (15)Molar Volume: 92.9 cm3; (16)Polarizability: 12.99×10-24cm3; (17)Surface Tension: 73.3 dyne/cm; (18)Density: 1.507 g/cm3; (19)Flash Point: 185.6 °C; (20)Enthalpy of Vaporization: 65.65 kJ/mol; (21)Boiling Point: 383.2 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-06 mmHg at 25°C.

Uses of 3-Hydroxy-2-nitropyridine: It can react with sulfuric acid dimethyl ester to produce 3-methoxy-2-nitro-pyridine. This reaction will need reagent K2CO3, and the solvent acetone. The reaction time is 2 hours with heating, and the yield is about 61%.

3-Hydroxy-2-nitropyridine can react with sulfuric acid dimethyl ester to produce 3-methoxy-2-nitro-pyridine

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. 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: c1cc(c(nc1)[N+](=O)[O-])O
(2)InChI: InChI=1/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
(3)InChIKey: QBPDSKPWYWIHGA-UHFFFAOYAW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04089,

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