Grundinformationen
- Standard-SMILES
O=C(O)c1ccccc1F- InChIKey
NSTREUWFTAOOKS-UHFFFAOYSA-N- Summenformel
- C7H5FO2
- Durchschnittliche Molmasse
- 140,11 g/mol
- Monoisotopische Masse
- 140,02735756
Namen und Bezeichner
- Bevorzugter Name
- 2-Fluorobenzoic acid
- IUPAC
- 2-fluorobenzoic acid
- Lokaler Name
- 2-Fluorbenzoesure
- Englischer Name
- 2-Fluorobenzoic acid
- Summenformel
- C7H5FO2
- Molmasse
- 140.11
Namen und Synonyme
2-FLUOROBENZOIC ACID445-29-4o-Fluorobenzoic acidBenzoic acid, 2-fluoro-Benzoic acid, o-fluoro-ortho-Fluorobenzoic acid64UZ32KOO4NSC-10319DTXSID1060001CHEBI:19577RefChem:472615DTXCID5040338
Weitere Namen anzeigen
OFBA2-fluorobenzoate2-FLUOROBENZOHYDRAZIDEAdjacent aciduorobenzoic acidAKOS BBS-000038062-Fluorbenzoesure
207-158-1MFCD00002405fluorobenzoic acido-FluorbenzoesaeureNSC 1031941406-98-8o-Fluorobenzoic Acid; NSC 10319;o-Fluorbenzoesaeure [German]
Datenbank-Bezeichner
- CAS
41406-98-8、445-29-4- PubChem CID
- 9935
- DTXSID
DTXSID1060001- ChEMBL
CHEMBL114383- ChEBI
CHEBI:19577- UNII
- 64UZ32KOO4
- EC Number
- 207-158-1
- Nikkaji
- J26.901H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 136
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-125 °C (lit.)
- Siedepunkt
- 114 °C · 114 °C
- Dichte
- 1 · 1,46 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 7.2 g/l · 7.2g/l
- Aggregatzustand
- Crystalline Powder or Needles
- pka
- 3.27 · 3.27(at 25℃)
- Farbe
- White to light yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 971265 · 971265
- InChI
- InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
- InChIKey
- NSTREUWFTAOOKS-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC=C1F
- CAS Datenbank
- 445 · 445-29-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzoic acid, 2-fluoro-(445-29-4)
- EPA chemische Informationen
- 2 · Benzoic acid, 2-fluoro- (445-29-4)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29163900
- RTECS-Nr.
- DH0250000
- risk_code
- 37/38-36/37/38
- hazard_code
- Xi
- safety_code
- 22-26-28-24/25-37/39-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Anwendungen
Verwenden2-Fluorobenzoic acid is an intermediate of the fungicide tritriazole and meclofenamic acid.
Verwenden2-Fluorobenzoic acid may be employed in the preparation of zaragozic acid A analogs. It is also used as an organic chemical synthesis intermediate.
Darstellung
synthetischeThe preparation of 2-fluorobenzoic acid is based on anthranilic acid as raw material, adding anhydrous hydrogen fluoride and sodium nitrite in methoxyethyl methyl ether solvent for diazotization, refluxing for 3 hours, and post-processing to obtain the finished product.
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Ergänzende Hinweise
DefinitionChEBI: 2-fluorobenzoic acid is a 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2. It is a fluorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-fluorobenzoate.
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