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62-74-8 molecular structure
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sodium 2-fluoroacetate

ChemBase ID: 106705
Molecular Formular: C2H2FNaO2
Molecular Mass: 100.0242532
Monoisotopic Mass: 99.99365181
SMILES and InChIs

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

Cite this record

CBID:106705 http://www.chembase.cn/molecule-106705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.128982  H Acceptors
H Donor LogD (pH = 5.5) -2.4932117 
LogD (pH = 7.4) -3.6066246  Log P -0.14950198 
Molar Refractivity 23.4909 cm3 Polarizability 4.886084 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
soluble in water expand Show data source
Apperance
Fluffy, colorless to white powder expand Show data source
Melting Point
200 °C (325.15 K) expand Show data source
200°C expand Show data source
200-205 °C (dec.) expand Show data source
Boiling Point
Decomposes expand Show data source
Flash Point
? expand Show data source
RTECS
AH9100000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2629 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
26/27/28-50 expand Show data source
R:26/27/28-50 expand Show data source
Safety Statements
13-22-36/37-45-61 expand Show data source
R R26 R27 R28 expand Show data source
S:13-22-45-61-36/37 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Toxic, Flammable expand Show data source
LD50
0.1–5.0 mg/kg (oral in various species of rats and mice) expand Show data source
GHS Hazard statements
H300-H310-H330-H400 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
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 expand Show data source
RID/ADR
UN 2629 6.1/PG 1 expand Show data source
Purity
≥95% (calculated on dry substance, NT) expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Linear Formula
FCH2COONa expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201080 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 31220 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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