Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Nitropyridine N-oxide

Related Products

Hot Products

Name

4-Nitropyridine N-oxide

EINECS 214-395-4
CAS No. 1124-33-0 Density 1.43 g/cm3
PSA 71.28000 LogP 1.54650
Solubility Insoluble in water Melting Point 159-164 °C
Formula C5H4N2O3 Boiling Point 397.2 °C at 760 mmHg
Molecular Weight 140.098 Flash Point 194 °C
Transport Information UN 2811 6.1/PG 3 Appearance white to light yellow crystal
Safety 26-45-37/39-28A-36-22 Risk Codes 25-36/37/38-40-23/24/25
Molecular Structure Molecular Structure of 1124-33-0 (4-Nitropyridine N-oxide) Hazard Symbols ToxicT
Synonyms

4-Nitropyridine1-oxide;4-Nitropyridine oxide;NSC 130895;NSC 5079;p-Nitropyridine N-oxide;

Article Data 28

4-Nitropyridine N-oxide Consensus Reports

EPA Extremely Hazardous Substances List. EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

4-Nitropyridine N-oxide Specification

The IUPAC name of 4-Nitropyridine-N-oxide is 4-nitro-1-oxidopyridin-1-ium. With the CAS registry number 1124-33-0 and EINECS 214-395-4, it is also named as Pyridine, 4-nitro-, 1-oxide. The product's categories are Pyridines; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine; Pyridines Derivates; Heterocyclic Building Blocks. It is white to light yellow crystal which should be sealed in the container and stored in the cool and dry place. When heated to decomposition, it emits very toxic fumes of nitrogen oxides. Besides, people should ensure that the workplace has well-ventilated equipment.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.94; (8)ACD/KOC (pH 7.4): 11.94; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.93 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 33.5 cm3; (15)Molar Volume: 97.7 cm3; (16)Polarizability: 13.28×10-24 cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Enthalpy of Vaporization: 62.23 kJ/mol; (19)Vapour Pressure: 3.7E-06 mmHg at 25°C; (20)Exact Mass: 140.022192; (21)MonoIsotopic Mass: 140.022192; (22)Topological Polar Surface Area: 71.3; (23)Heavy Atom Count: 10; (24)Complexity: 125.

Preparation of 4-Nitropyridine-N-oxide: It can be obtained by pyridine 1-oxide. This reaction needs reagent H2SO4 and HNO3 at temperature of 120 °C. The yield is 78%.

4-Nitropyridine-N-oxide can be obtained by pyridine 1-oxide

Uses of 4-Nitropyridine-N-oxide: It is used as intermediate. It also can react with methanol; sodium salt to get 4-methoxy-pyridine-1-oxide. This reaction needs solvent methanol by heating. The reaction time is 1 hours. The yield is 65%.

4-Nitropyridine-N-oxide can react with methanol; sodium salt to get 4-methoxy-pyridine-1-oxide

When you are using this chemical, please be cautious about it as the following:
It is not only toxic by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system  And it has limited evidence of a carcinogenic effect. So people should not breathe dust. 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. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:c1c[n+](ccc1[N+](=O)[O-])[O-]
2. InChI:InChI=1/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
3. InChIKey:RXKNNAKAVAHBNK-UHFFFAOYAT

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 8mg/kg (8mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.
chicken LDLo oral 23mg/kg (23mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 430, 1969.
dog LD50 oral 3916mg/kg (3916mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.
guinea pig LD50 skin > 1gm/kg (1000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0540929,
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0540929,
mouse LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0540929,
pig LD50 oral 7208mg/kg (7208mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.
pigeon LD50 oral 20mg/kg (20mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.
rabbit LDLo skin 360mg/kg (360mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 430, 1969.
rat LD50 intraperitoneal 25mg/kg (25mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0540929,
rat LD50 oral 107mg/kg (107mg/kg)   Journal of Wildlife Management. Vol. 29, Pg. 830, 1965.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 1124-33-0