6-Fluoropyridine-2-carboxylic acid
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Basic information
- CAS
402-69-7- Standard SMILES
O=C(O)c1cccc(F)n1- InChIKey
DIEMCUFYSOEIDU-UHFFFAOYSA-N- Molecular formula
- C6H4FNO2
- Average molar mass
- 141.1 g/mol
- Monoisotopic mass
- 141.02260659
Names & identifiers
- Preferred name
- 6-Fluoropyridine-2-carboxylic acid
- IUPAC
- 6-fluoropyridine-2-carboxylic acid
- English name
- 2-Fluoropyridine-6-carboxylic acid
- Molecular formula
- C6H4FNO2
- Molecular weight
- 141.1
Names & synonyms
6-Fluoropyridine-2-carboxylic acidRefChem:543264637-034-6402-69-76-Fluoropicolinic acid2-fluoropyridine-6-carboxylic acid6-Fluoro-2-pyridinecarboxylic acid2-Fluoro-6-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-fluoro-MFCD021811936-fluoro picolinic acidSCHEMBL107964
Show more names
657532-Fluoroyridine-6uoro-2-pyridinecarboxyL5-Amino-6-chloro-4-picoline2-Fluoroyridine-6-carboxylicacid2-Fluoropyridine-6-carboxylicaci6-Fluoro-2-pyridinecarboxylicacid
2-fluoro-6-pyridine carboxylic acidCS-W019850PS-90226-Fluoro-pyridine-2-carboxylic acid2-fluoro-6-carboxypyridine6-Fluoropyridine-2-carboxylicacidBCP22178NSC16023
Database identifiers
- CAS
402-69-7- PubChem CID
- 226027
- DTXSID
DTXSID00280229- EC Number
- 637-034-6
- Nikkaji
- J2.115.599C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 139 · 139-143 °C (lit.)
- Boiling point
- 306.3 · 306.3±22.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.3 · 3.30±0.10(Predicted)
- form
- Powder or Crystalline Powder
- color
- White to yellow to pale brown
- InChI
- 1S/C6H4FNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
- InChIKey
- DIEMCUFYSOEIDU-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cccc(F)n1
- CAS DataBase Reference
- 402 · 402-69-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 49 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
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- 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
Uses2-Fluoropyridine-6-carboxylic acid serves as a ligand in the synthesis of Cu(II) metal complexes [5].
Upstream & downstream products
Upstream raw materials
Related reactions
34 records
Compound notes
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