CAS 15128-90-2 6-Methyl-2-nitropyridin-3-ol (HCID 84801)

Names & identifiers

Preferred name: 6-Methyl-2-nitropyridin-3-ol
IUPAC: 6-methyl-2-nitropyridin-3-ol
English name: 3-Hydroxy-6-methyl-2-nitropyridine
Molecular formula: C6H6N2O3
Molecular weight: 154.12

Names & synonyms

6-Methyl-2-nitropyridin-3-olEINECS 239-192-8WZMGQHIBXUAYGS-UHFFFAOYSA-DTXSID80164750NSC 102501RefChem:543837DTXCID9087241239-192-8InChI=1/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H33-Hydroxy-6-methyl-2-nitropyridine15128-90-23-Pyridinol, 6-methyl-2-nitro-

Show more names

5-hydroxy-6-nitro-2-picoline3-Hydroxy-2-nitro-6-picoline6-methyl-2-nitro-3-pyridinolate6-METHYL-2-NITRO-3-HYDROXYPYRIDINE5-HYDROXY-2-METHYL-6-NITROPYRIDINE3-HYDROXY-6-METHYL-2-NITROPYRIDINE 99%

6-Methyl-2-nitro-3-pyridinolMFCD000062596-methyl-2-nitro-pyridin-3-ol8GL62944A8NSC-102501NSC102501SCHEMBL1871242-Nitro-6-methylpyridin-3-ol

Database identifiers

CAS: 15128-90-2
PubChem CID: 84801
DTXSID: DTXSID80164750
UNII: 8GL62944A8
EC Number: 239-192-8
Nikkaji: J236.637A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 106 · 106-107 °C (lit.)
Boiling point: 277.46 °C · 277.46°C (rough estimate)
Density: 1.4564 · 1.4564 (rough estimate)
refractive index: 1.51 · 1.5100 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: 1.01 · 1.01±0.22(Predicted)
color: Light orange to Yellow to Green
BRN: 974751 · 974751
InChI: InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3
InChIKey: WZMGQHIBXUAYGS-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC(C)=CC=C1O
CAS DataBase Reference: 15128 · 15128-90-2(CAS DataBase Reference)
FDA UNII: 8 GL62944A8 · 8GL62944A8
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3-Hydroxy-6-methyl-2-nitropyridine was used in the synthesis of 3-methoxy-6-methyl-2-nitropyridine.Molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT).

General DescriptionMolecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT).