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640-19-7 molecular structure
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2-fluoroacetamide

ChemBase ID: 110134
Molecular Formular: C2H4FNO
Molecular Mass: 77.0576632
Monoisotopic Mass: 77.02769197
SMILES and InChIs

SMILES:
NC(=O)CF
Canonical SMILES:
NC(=O)CF
InChI:
InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
InChIKey:
FVTWJXMFYOXOKK-UHFFFAOYSA-N

Cite this record

CBID:110134 http://www.chembase.cn/molecule-110134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoroacetamide
IUPAC Traditional name
fluoroacetamide
Synonyms
FLUOROACETAMIDE
NSC 31876
Fluoroacetamide
2-fluoroacetamide
氟乙酰胺
CAS Number
640-19-7
EC Number
211-363-1
MDL Number
MFCD00008026
Beilstein Number
1739054
PubChem SID
24870114
24847848
162095573
PubChem CID
12542
CHEBI ID
53124
CHEMBL
160811
Chemspider ID
12025
KEGG ID
C18675
Wikipedia Title
Fluoroacetamide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.945622  H Acceptors
H Donor LogD (pH = 5.5) -0.95644456 
LogD (pH = 7.4) -0.9564435  Log P -0.9564446 
Molar Refractivity 14.476 cm3 Polarizability 5.56622 Å3
Polar Surface Area 43.09 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
Melting Point
106-108 °C expand Show data source
106-108 °C(lit.) expand Show data source
107 - 109°C expand Show data source
107 - 109°C expand Show data source
Hydrophobicity(logP)
-0.941 expand Show data source
RTECS
AC1225000 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
24-28 expand Show data source
R:24-28 expand Show data source
Safety Statements
36/37-45 expand Show data source
S:45-36/37 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H311 expand Show data source
GHS Precautionary statements
P264-P280-P301 + P310-P312 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
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
95% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
FCH2CONH2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 128341 external link
Packaging
5 g in glass bottle
Application
Reactant involved in:
• C-N coupling to amides and nitrogen-containing heterocycles1
• Substitution in aryl triflates2Used in mass databases for screening of pesticide residues via fast liquid chromatography TOF mass spectrometry3
Sigma Aldrich - 46390 external link
Application
Reactant involved in:
• C-N coupling to amides and nitrogen-containing heterocycles1
• Substitution in aryl triflates2Used in mass databases for screening of pesticide residues via fast liquid chromatography TOF mass spectrometry3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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