Encyclopedia / Pharmaceutical Intermediates / Organic Intermediate / Organic Intermediates

2-Fluoropyridine-6-carboxylic acid

CAS：402-69-7
MW:141.101
MF：C6H4FNO2

2-Fluoropyridine-6-carboxylic acid, with the chemical formula C6H4FNO2 and CAS registry number 402-69-7, is a compound known for its role as a building block in organic synthesis. This colorless liquid is characterized by its fluorine and carboxylic acid functional groups attached to the pyridine ring. It is commonly used in the production of pharmaceuticals, agrochemicals, and other fine chemicals. 2-Fluoropyridine-6-carboxylic acid has been studied for its potential applications in the development of new drugs and materials. It is an important compound in the field of medicinal chemistry and chemical research, contributing to the advancement of various scientific disciplines.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-Fluoropyridine-6-carboxylic acid

1.2 Synonyms: 2-FLUORO-6-PYRIDINECARBOXYLIC ACID; 2-Fluoropyridine-6-carboxylicacid; 2-Fluoroyridine-6-carboxylicacid; 2-Pyridinecarboxylic acid, 6-fluoro-; 6-Fluoro-2-pyridinecarboxylic acid; 6-Fluoro-2-pyridinecarboxylicacid; 6-FLUOROPICOLINIC ACID; 6-FLUOROPYRIDINE-2-CARBOXYLIC ACID; MFCD02181193;

1.3 CAS No.: 402-69-7

1.4 CID: 226027

1.5 EINECS: None

1.6 Molecular Formula: C6H4FNO2

1.7 Inchi: InChI=1S/C6H4FNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)

1.8 InChkey: DIEMCUFYSOEIDU-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=NC(=C1)F)C(=O)O

1.10 Isomers Smiles: C1=CC(=NC(=C1)F)C(=O)O

2. Properties

2.1 Appearance: White to yellow to pale brown Powder or Crystalline Powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: White to light yellow powder 2-Fluoropyridine-6-carboxylic acid Preparation Products And Raw materials Raw materials

2.4 Color/Form: White to yellow to pale brown

2.5 pKa: 3.30±0.10(Predicted)

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

3. Use and Manufacturing

3.1 Description

2-Fluoropyridine-6-carboxylic acid, with the chemical formula C6H4FN2O2, has the CAS number 402-69-7. It appears as a colorless solid with no distinct odor. The basic structure of this compound consists of a pyridine ring with a carboxylic acid group and a fluorine atom attached to it. 2-Fluoropyridine-6-carboxylic acid is sparingly soluble in water. It is important to handle this chemical with caution as it may cause irritation to the skin and eyes. Ingestion of this compound may lead to health issues. It is also important to avoid exposure to high temperatures as it may emit toxic fumes. Proper measures should be taken to prevent its release into the environment, as it can contaminate groundwater and nearby streams.

Applicable Fields

Pharmaceuticals: 2-Fluoropyridine-6-carboxylic acid is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. Its mechanism of action in this field involves its ability to react with other compounds to form the desired pharmaceutical products.

Chemical Research: This compound is also utilized in chemical research for the synthesis of new compounds. Its purpose in this field involves its reactivity and ability to undergo various chemical reactions, allowing scientists to explore new chemical structures and properties.

Storage

Conditions: Store in a cool and dry place.

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4. Safety and Handling

4.1 Safety: Hazard Codes of 2-Fluoropyridine-6-carboxylic acid (CAS NO.402-69-7): Xi
Risk Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 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
HazardClass: IRRITANT

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4.2 Specification: Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

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

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6. Synthesis Route

402-69-7Total: 4 Synthesis Route

407-22-7 173 Suppliers

402-69-7 118 Suppliers

1824-81-3 258 Suppliers

402-69-7 118 Suppliers

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7. Precursor and Product

precursor:

1824-81-3

67-63-0

2369-19-9

7732-18-5

407-22-7

product:

656239-36-0

315180-17-7

369-03-9

455-71-0

64197-03-1

8. Computed Properties

Molecular Weight：141.101g/mol
Molecular Formula：C₆H₄FNO₂
Compound Is Canonicalized：True
Exact Mass：1.1
XLogP3-AA：141.02260653
Monoisotopic Mass：141.02260653
Complexity：140
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：50.2
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：AAADcYBiMQAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHwAACAAACAiBlggwiJIIEgCoASTyTASCgCAnAiAImCGwbNgKJvLAlbGEcQhkwAHY2YeYSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==