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349-97-3 molecular structure
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N-[4-(trifluoromethyl)phenyl]acetamide

ChemBase ID: 9221
Molecular Formular: C9H8F3NO
Molecular Mass: 203.1611296
Monoisotopic Mass: 203.05579854
SMILES and InChIs

SMILES:
FC(F)(F)c1ccc(cc1)NC(=O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1)C(F)(F)F
InChI:
InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey:
DFDHFECLWHHELH-UHFFFAOYSA-N

Cite this record

CBID:9221 http://www.chembase.cn/molecule-9221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(trifluoromethyl)phenyl]acetamide
IUPAC Traditional name
N-[4-(trifluoromethyl)phenyl]acetamide
Synonyms
N-(4-(trifluoromethyl)phenyl)acetamide
p-ACETAMINOBENZOTRIFLUORIDE
4'-(Trifluoromethyl)acetanilide 98%
4'-(Trifluoromethyl)acetanilide
4-Acetamidobenzotrifluoride
4'-(Trifluoromethyl)acetanilide
4'-(三氟甲基)乙酰苯胺
CAS Number
349-97-3
EC Number
206-495-1
MDL Number
MFCD00013562
Beilstein Number
2106965
PubChem SID
160972528
PubChem CID
67685

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.321675  H Acceptors
H Donor LogD (pH = 5.5) 2.0888047 
LogD (pH = 7.4) 2.0888047  Log P 2.0888047 
Molar Refractivity 46.8947 cm3 Polarizability 16.426508 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
150-154°C expand Show data source
152-153°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302 expand Show data source
GHS Precautionary statements
P280F expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221554 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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