2-Fluoronicotinic acid (HCID 96089)

Names & identifiers

Preferred name: 2-Fluoronicotinic acid
IUPAC: 2-fluoropyridine-3-carboxylic acid
English name: 2-Fluoronicotinic acid
Molecular formula: C6H4FNO2
Molecular weight: 141.1

Names & synonyms

2-Fluoronicotinic acid393-55-5EINECS 206-888-8NSC 51588DTXSID10192541RefChem:87178DTXCID50115032206-888-82-Fluoropyridine-3-carboxylic acid2-Fluoro-3-pyridinecarboxylic acid2-Fluoro-nicotinic acidMFCD00040744

Show more names

RARECHEM AL BO 2399TIMTEC-BB SBB0041592-Fluoropyridine-3-c2-Fluoro-3-NicotinicAcid2-Fluoronicotinicacid97%2-FluoronicotinicAcid>2- fluorinenicotinic acid2-Fluoronicotinic acid 97%2-Fluoronicotinicacid,98+%

2-fluoro nicotinic acidCS-D0952NSC51588NSC-51588AC-31872-FluoronicotinicacidF0575AI-942/25034137

Database identifiers

CAS: 393-55-5
PubChem CID: 96089
DTXSID: DTXSID10192541
ChEMBL: CHEMBL394308
EC Number: 206-888-8
Nikkaji: J213.627I

Properties

Computed structural properties

XLogP: 0.8
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: 161 · 161-165 °C(lit.)
Boiling point: 298.7 · 298.7±20.0 °C(Predicted)
Density: 1.419 · 1.419±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.54 · 2.54±0.10(Predicted)
form: Powder or Crystalline Powder
color: White to yellow
BRN: 3612 · 3612
InChI: 1S/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKey: LLLVHTWJGWNRBD-UHFFFAOYSA-N
SMILES: OC(=O)c1cccnc1F
CAS DataBase Reference: 393 · 393-55-5(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-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38-10
Safety Statements: 26 · 26-36-16
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 48 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: 36/37/38-10
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
safety_code: 26-36-16
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-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

Uses2-Fluoronicotinic Acid is an intermediate used to prepare oxadiazole derivatives to inhibit tubulin polymerization and to cause mitotic arrest in tumor cells. It is also used to synthesize potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.