sodium 2-fluoroacetate

• ChemBase ID: 106705
• Molecular Formular: C2H2FNaO2
• Molecular Mass: 100.0242532
• Monoisotopic Mass: 99.99365181
• SMILES: [Na+].[O-]C(=O)CF
• Canonical SMILES: [O-]C(=O)CF.[Na+]
• InChI: InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
• InChIKey: JGFYQVQAXANWJU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-fluoroacetate
• IUPAC Traditional name: potassium fluoroacetate; sodium fluoroacetate
• Synonyms: SODIUM FLUOROACETATE; 1080; SFA; Sodium monofluoroacetate; Compound 1080; Fluoroacetic acid sodium salt; Gifblaar poison; Sodium fluoroacetate; 氟乙酸 钠盐; 氟醋酸钠; 氟乙酸钠

Database IDs

• CAS Number: 62-74-8
• EC Number: 200-548-2
• MDL Number: MFCD00002682
• Beilstein Number: 3915223
• PubChem SID: 24886217; 162088783; 24862768; 24899097
• PubChem CID: 16212360
• CHEBI ID: 38699
• CHEMBL: 369611
• Chemspider ID: 5893
• KEGG ID: C18588
• Wikipedia Title: Sodium_fluoroacetate

CALCULATED PROPERTIES

• Acid pKa: 3.128982
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.4932117
• LogD (pH = 7.4): -3.6066246
• Log P: -0.14950198
• Molar Refractivity: 23.4909 cm^3
• Polarizability: 4.886084 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in water
• Apperance: Fluffy, colorless to white powder
• Melting Point: 200 °C (325.15 K); 200°C; 200-205 °C (dec.)
• Boiling Point: Decomposes
• Flash Point: ?

Safety Information

• RTECS: AH9100000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2629
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28-50; R:26/27/28-50
• Safety Statements: 13-22-36/37-45-61; R R26 R27 R28; S:13-22-45-61-36/37
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• Main Hazard: Toxic, Flammable
• LD50: 0.1–5.0 mg/kg (oral in various species of rats and mice)
• GHS Hazard statements: H300-H310-H330-H400
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2629 6.1/PG 1

Product Information

• Purity: ≥95% (calculated on dry substance, NT)
• Grade: analytical standard; PESTANAL®, analytical standard; technical; technical grade
• Packaging: ampule of 1000 mg
• Linear Formula: FCH2COONa

DETAILS

MP Biomedicals - 05201080

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 31220

Legal Information
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