6-Fluoronicotinic Acid (HCID 242819)

Names & identifiers

Preferred name: 6-Fluoronicotinic Acid
IUPAC: 6-fluoropyridine-3-carboxylic acid
English name: 6-Fluoronicotinic acid
Molecular formula: C6H4FNO2
Molecular weight: 141.1

Names & synonyms

6-Fluoronicotinic acidDTXSID80287610RefChem:543255DTXCID30238758637-033-0403-45-26-Fluoropyridine-3-carboxylic acid2-fluoropyridine-5-carboxylic acidMFCD018598636-fluoro-3-pyridinecarboxylic acid2-Fluoro-5-pyridinecarboxylic Acid6-fluoro nicotinic acid

Show more names

uoronicotinic acid6-Fluoronicotinicaci6-Fluoronicotinc Acid6-Floronicotinic acid6-Fluoronicotinicacid98%6-FluoronicotinicAcid>6-Fluoronicotinic acid 98%6-FLUOROPYRIDINE-3-FORMIC ACID6-Fluoropyridin-3-carboxylic acid

2-Fluoro-5-pyridine carboxylic acidSCHEMBL646556CS-W019722PS-9025SY004391EN300-756686-FluoronicotinicacidNSC51767

Database identifiers

CAS: 403-45-2
PubChem CID: 242819
DTXSID: DTXSID80287610
ChEMBL: CHEMBL247112
EC Number: 637-033-0
Nikkaji: J2.174.933H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 144 · 144-148 °C(lit.)
Boiling point: 309.4 · 309.4±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
form: powder to crystal
pka: 3.41 · 3.41±0.10(Predicted)
color: White to Orange to Green
InChI: InChI=1S/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKey: UJDLCTNVHJEBDG-UHFFFAOYSA-N
SMILES: C1=NC(F)=CC=C1C(O)=O
CAS DataBase Reference: 403 · 403-45-2(CAS DataBase Reference)
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 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
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 44 reports by companies from 7 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 · 1 item

Uses6-Fluoronicotinic acid is a fluorinated nicotinic acid that is a derivative of pyridine, with a carboxylic acid at 3-position and a fluorine at 6-position. It is used as a pharmaceutical intermediate and a molecular scaffold to synthesize tracers for positron emission tomography, for visualizing and measuring changes in metabolic processes.