2-Fluoroisonicotinic acid

HCID 345360

Notes Reactions

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Basic information

CAS: 402-65-3
Standard SMILES: O=C(O)c1ccnc(F)c1
InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N
Molecular formula: C6H4FNO2
Average molar mass: 141.1 g/mol
Monoisotopic mass: 141.02260659

Names & identifiers

Preferred name: 2-Fluoroisonicotinic acid
IUPAC: 2-fluoropyridine-4-carboxylic acid
English name: 2-Fluoroisonicotinic acid
Molecular formula: C6H4FNO2
Molecular weight: 141.1

Names & synonyms

2-Fluoroisonicotinic acid402-65-3DTXSID00323069RefChem:472641DTXCID002741882-Fluoropyridine-4-carboxylic acid2-Fluoro-4-pyridinecarboxylic acid2-FluoroisonicotinicacidMFCD021811942-fluoro isonicotinic acidSY024079F0693

Show more names

uoroisonicotinic Acid2-FluoroisonicotinicAci2-Fluoroisonotinic acid2-Fluoroisonictinic acid2-FluoroisonicotinicAcid>2-Fluoro-4-pyridinecorboxylc2-Fluoroisonicotinic acid ,98%2-Fluoro-4-pyridinecarboxlic acid2-Fluoropyridin-4-carboxylic acid

4-PYRIDINECARBOXYLIC ACID, 2-FLUORO-2-FLUORO-4-CARBOXYPYRIDINE2-Fluoro-isonicotinic acidNSC402973SCHEMBL1188174-PYRIDINECARBOXYLIC ACISCHEMBL23796342SCHEMBL25382200

Database identifiers

CAS: 402-65-3
PubChem CID: 345360
DTXSID: DTXSID00323069
EC Number: 637-035-1
Nikkaji: J2.109.176F

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: 200 °C · 200 °C (dec.)(lit.)
Boiling point: 396.6 · 396.6±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: 3.03 · 3.03±0.10(Predicted)
form: Powder
color: White to Almost white
InChI: InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC(C(O)=O)=C1
CAS DataBase Reference: 402 · 402-65-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29333990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses2-Fluoroisonicotinic acid is a catalyst in organic reactions and serves as a starting material for the synthesis of fluorinated compounds. Furthermore, it plays a role in the synthesis of dyes, pigments, and various other organic compounds.