3-Hydroxy-2-nitropyridine

HCID 27057

Basic information

CAS
15128-82-2
Standard SMILES
O=[N+]([O-])c1ncccc1O
InChIKey
QBPDSKPWYWIHGA-UHFFFAOYSA-N
Molecular formula
C5H4N2O3
Average molar mass
140.1 g/mol
Monoisotopic mass
140.02219199

Overview

structure in first source

Names & identifiers

Preferred name
3-Hydroxy-2-nitropyridine
IUPAC
2-nitropyridin-3-ol
English name
3-Hydroxy-2-nitropyridine
Molecular formula
C5H4N2O3
Molecular weight
140.1

Names & synonyms

3-Hydroxy-2-nitropyridine15128-82-22-Nitro-3-pyridinol3-PYRIDINOL, 2-NITRO-UU357X85YBNSC-97501DTXSID6022264RefChem:502346DTXCID002264239-191-2604-788-22-Nitropyridin-3-ol
Show more names
2-nitro-3-pyridinoTIMTEC-BB SBB0041683-Hydroxy-2-nitropyrCrizotinib Impurity 82-nitro-3-pyridinolate3-Hydroxy-2-Nitropyrine
2-Nitro-3-hydroxypyridine15128-08-2MFCD00006258UNII-UU357X85YBNSC 975012-Nitro-pyridin-3-olAKOS000120717BP-11548

Database identifiers

CAS
15128-82-2
PubChem CID
27057
DTXSID
DTXSID6022264
UNII
UU357X85YB
EC Number
239-191-2、604-788-2
Nikkaji
J3.776A

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
78.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
69 · 69-71 °C (lit.)
Boiling point
256.56 °C · 256.56°C (rough estimate)
Density
1.5657 · 1.5657 (rough estimate)
refractive index
1.48 · 1.4800 (estimate)
storage temp.
Inert atmosphere,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly, Heated)

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 63 reports by companies from 8 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
rtecs
UU7715000
hs_code
29333990
Toxicity
mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04089,
risk_code
36/37/38

Chemistry & industry

Applications

Uses3-Hydroxy-2-nitropyridine may be used in the synthesis of novel sulfonates that are potent inhibitors of cell proliferation and tubulin polymerization.

Preparation methods · 1 item

PreparationSynthesis of 3-hydroxy-2-nitropyridine: add 10g of 3-hydroxypyridine, 80ml of ethyl acetate, 4.2g of KNO3 and 21ml of acetic anhydride into a 250mL three-necked flask, and heat at 45°C with magnetic stirring After the reaction is completed, it is cooled to room temperature, filtered with suction, washed with a small amount of ethyl acetate for 1 to 2 times, the filtrate is taken to adjust the pH to neutrality with saturated NaOH solution, and extracted with ethyl acetate for 3 to 4 times. , take the extract and add activated carbon and heat under reflux for 1 hour, cool and filter, take the filtrate, dry with anhydrous magnesium sulfate, filter, concentrate on a rotary evaporator, and dry in a drying oven. 11.9 g of 3-hydroxy-2-nitropyridine was obtained with a yield of 81%.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东艾利特生物科技有限公司0539-18853986-090 13053958157 · [email protected]
山东鑫道医药科技有限公司0546-5612566 18019700392 · [email protected]

Related reactions

53 records

Compound notes

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