3D Mol Similar

3-Hydroxypicolinic acid

Iupac Name：3-hydroxypyridine-2-carboxylic acid

CAS No.: 874-24-8

Molecular Weight：139.1088

Modify Date.: 2022-11-29 04:39

Introduction:

3-Hydroxypicolinic acid is a picolinic acid derivative, and belongs to the pyridine family.

Solid

3-hydroxypicolinic acid is a monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides. It has a role as a MALDI matrix material. It is a monohydroxypyridine and a monocarboxylic acid.

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1. Names and Identifiers

: 1.1 Name; 3-Hydroxypicolinic acid; 1.2 Synonyms; 2-Carboxy-3-hydroxypyridine 2-PYRIDINECARBOXYLIC ACID, 3-HYDROXY- 3-HPA 3-Hydroxy-2-carboxypyridine 3-Hydroxy-2-pyridine carboxylic acid 3-Hydroxy-2-Pyridinecarboxylic 3-HYDROXY-2-PYRIDINECARBOXYLIC ACID 3-hydroxy-picolinic acid 3-hydroxy-pyridine-2-carboxylic acid 3-HYDROXYPYRIDINE-2-CARBOXYLIC ACID EINECS 212-859-0 hydroxypicolinic acid MFCD00006294 RARECHEM AL BO 0972 TIMTEC-BB SBB006727; View all

1.3 CAS No.: 874-24-8

1.4 CID: 13401

1.5 EINECS(EC#): 212-859-0

1.6 Molecular Formula: C6H5NO3 (isomer)

1.7 Inchi: InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)

1.8 InChIkey: BRARRAHGNDUELT-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C(N=C1)C(=O)O)O

1.10 Isomers Smiles: C1=CC(=C(N=C1)C(=O)O)O

2. Properties

2.1 Density: 1.485

2.1 Melting point: 208-212℃

2.1 Boiling point: 305

2.1 Refractive index: 1.5423 (estimate)

2.1 Flash Point: 226.6°C

2.1 Precise Quality: 139.02700

2.1 PSA: 70.42000

2.1 logP: 0.48540

2.1 Solubility: Soluble in water (0.25g in 10ml).

2.2 Appearance: White to almost white Fine Powder

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: Light yellow Needles

2.5 Color/Form: White to almost white

2.6 pKa: 1.14±0.50(Predicted)

2.7 Water Solubility: soluble in water (0.25g in 10ml).

2.8 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

2.9 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Definition: ChEBI: A monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides. 3-Hydroxypicolinic acidSupplier

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R20/22;R36/37/38

4.1 Safety Statements: S26;S36/37/39

4.1 Packing Group: II

4.1 Hazard Class: IRRITANT

4.1 Hazard Declaration: H315-H319-H335

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P305 + P351 + P338

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

874-24-8Total: 8 Synthesis Route

98-98-6 377 Suppliers

874-24-8 116 Suppliers

Literatures:
Heterocyclic Communications, , vol. 9, # 5 p. 489 - 492
Yield: null

1121-25-1 173 Suppliers

874-24-8 116 Suppliers

Literatures:
Chemische Berichte, , vol. 90, p. 758,761
Yield: null

1849-55-4 54 Suppliers

874-24-8 116 Suppliers

Literatures:
Chemische Berichte, , vol. 90, p. 758,761
Yield: null

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8. Precursor and Product

precursor:

98-98-6

1121-60-4

27507-15-9

1462-86-8

76045-30-2

98140-94-4

1121-25-1

1849-55-4

product :

109-00-2

14764-90-0

107095-98-7

321596-55-8

107095-99-8

24059-83-4

321601-48-3

62733-99-7

117523-29-2

933-90-4

321596-58-1

272-62-8

59718-84-2

5004-83-1

122019-53-8

107096-11-7

107096-03-7

107096-09-3

73406-50-5

52605-89-7

16867-03-1

14623-54-2

13210-29-2

View all

9. Other Information

9.0 Usage: 3-Hydroxypyridine-2-carboxylic acid is used as a matrix for nucleotides in MALDI mass spectrometry analyses.

9.1 BRN: 118954

9.2 Chemical Properties: Light yellow Needles

9.3 Uses: 3-Hydroxypicolinic acid (3-HPA) is a matrix material used in matrix-assisted laser desorption/ionization (MALDI) based mass spectroscopy (MS) for the analysis of large biomolecules and quantification of oligonucleotides.

9.4 Mesh Entry Terms: 3-hydroxy-2-pyridinecarboxylic acid

10. Computational chemical data

Molecular Weight: 139.1088g/mol
Molecular Formula: C₆H₅NO₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 139.026943022
Monoisotopic Mass: 139.026943022
Complexity: 137
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 70.4
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAACAzBlgQ8jpIIEgCoATT3TASCgCA3YiAI2CG/bNgKJ/bSlbOEcUhl4BHY2Qe4SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What are the characteristics and applications of 3-Hydroxypicolinic acid? Jul 06 2024
Introduction 3-Hydroxypicolinic acid, with the chemical formula C6H5NO3, is a white to off-white crystalline powder. It contains a pyridine ring in its molecular structure, and the nitrogen atom on th..
How can 3-Hydroxypicolinic Acid be synthesized? Jan 12 2024
3-hydroxyl group -2- Pyrimidine, as an important chemical, is widely used in many areas. This article will introduce its specific application in order to present readers' extensive application prospe..
Can you provide a concise synthesis method for 3-Hydroxypicolinic Acid? Jan 12 2024
This article will explore the method of synthesizing 3- hydroxyl group -2- pyridin acid, so that readers will be able to better understand the preparation process of the compound. Background: Pyridin..

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Purity:99%Packing: 200kg/bag FOB
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3-Hydroxypicolinic acid