ChemicalBook--->CAS DataBase List--->39745-39-6

39745-39-6

39745-39-6 Structure

39745-39-6 Structure
IdentificationMore
[Name]

6-Hydroxy-5-nitro-2-picoline
[CAS]

39745-39-6
[Synonyms]

2-HYDROXY-3-NITRO-6-METHYLPYRIDINE
2-HYDROXY-3-NITRO-6-PICOLINE
2-HYDROXY-6-METHYL-3-NITROPYRIDINE
3-NITRO-6-METHYLPYRIDIN-2-OL
6-HYDROXY-5-NITRO-2-PICOLINE
6-METHYL-3-NITRO-2(1H)-PYRIDINONE
6-METHYL-3-NITRO-PYRIDIN-2-OL
HYDROXY-6-METHYL-3-NITROPYRIDINE
2-Hydroxy-3-Nitro-6-Picoline 2-Hydroxy-3-Nitro-6-Methyl Pyridine
2-HYDROXY-3-NITRO-6-PICOLINE (2-HYDROXY-6-METHYL-3-NITROPYRIDINE)
[Molecular Formula]

C6H6N2O3
[MDL Number]

MFCD03001414
[Molecular Weight]

154.12
[MOL File]

39745-39-6.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow crystalline powder
[Melting point ]

225-226 C
[Boiling point ]

277.46°C (rough estimate)
[density ]

1.4564 (rough estimate)
[refractive index ]

1.5100 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[pka]

8.47±0.10(Predicted)
[color ]

Light yellow to Brown to Dark green
[InChI]

1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)
[InChIKey]

YVYDGIGILRUPED-UHFFFAOYSA-N
[SMILES]

Cc1ccc(c(O)n1)[N+]([O-])=O
[CAS DataBase Reference]

39745-39-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29337900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline powder
[Uses]

2-Hydroxy-6-methyl-3-nitropyridine is a water soluble compound that has been used for the treatment of tuberculosis.
[Synthesis]

2-Amino-3-nitro-6-picoline

21901-29-1

6-Hydroxy-5-nitro-2-picoline

39745-39-6

Synthesis of 2-hydroxy-3-nitro-6-methylpyridine: 2-amino-3-nitro-6-methylpyridine (10 g, 0.065 mol) was added to 100 mL of water, and concentrated sulfuric acid (12 mL) was added slowly under stirring and cooled to 0 °C in an ice bath. Sodium nitrite (6.9 g, 0.098 mol) was added in batches, and the reaction temperature was maintained at 0 °C for 4 h, followed by a 12 h standing time. A large amount of yellow precipitate precipitated during the reaction, the precipitate was collected by filtration under reduced pressure and dried under vacuum to give 7.7 g of yellow target product in 77% yield. The melting point of the product was 216.5-218.5 °C (water).

[References]

[1] Patent: EP2366691, 2011, A1. Location in patent: Page/Page column 11
[2] Journal of the American Chemical Society, 1952, vol. 74, p. 3828,3830
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

6-Hydroxy-5-nitro-2-picoline(39745-39-6)
[Sigma Aldrich]

39745-39-6(sigmaaldrich)
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