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1548-74-9 molecular structure
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4-amino-2,3,5,6-tetrafluorobenzamide

ChemBase ID: 6495
Molecular Formular: C7H4F4N2O
Molecular Mass: 208.1130728
Monoisotopic Mass: 208.02597564
SMILES and InChIs

SMILES:
c1(c(c(c(c(c1F)F)N)F)F)C(=O)N
Canonical SMILES:
Fc1c(N)c(F)c(c(c1F)C(=O)N)F
InChI:
InChI=1S/C7H4F4N2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H2,13,14)
InChIKey:
CAERPAFTLPIDJT-UHFFFAOYSA-N

Cite this record

CBID:6495 http://www.chembase.cn/molecule-6495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2,3,5,6-tetrafluorobenzamide
IUPAC Traditional name
4-amino-2,3,5,6-tetrafluorobenzamide
Synonyms
4-Amino-2,3,5,6-tetrafluorobenzamide
4-AMINOTETRAFLUOROBENZAMIDE
4-Amino-2,3,5,6-tetrafluorobenzamide
4-Amino-2,3,5,6-tetrafluorobenzamide 97%
4-氨基-2,3,5,6-四氟苯甲酰胺
CAS Number
1548-74-9
EC Number
216-285-1
MDL Number
MFCD00008000
PubChem SID
24846418
160969802
PubChem CID
73769

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.035355  H Acceptors
H Donor LogD (pH = 5.5) 0.56576896 
LogD (pH = 7.4) 0.5658502  Log P 0.5657679 
Molar Refractivity 40.7024 cm3 Polarizability 13.755113 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
185-186 °C(lit.) expand Show data source
185-186°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2NC6F4CONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221639 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 100617 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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