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399-31-5 molecular structure
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N-(2-fluorophenyl)acetamide

ChemBase ID: 7750
Molecular Formular: C8H8FNO
Molecular Mass: 153.1536232
Monoisotopic Mass: 153.0589921
SMILES and InChIs

SMILES:
c1ccc(c(c1)NC(=O)C)F
Canonical SMILES:
CC(=O)Nc1ccccc1F
InChI:
InChI=1S/C8H8FNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
InChIKey:
AUZPZBPZWHEIDY-UHFFFAOYSA-N

Cite this record

CBID:7750 http://www.chembase.cn/molecule-7750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-fluorophenyl)acetamide
IUPAC Traditional name
2-fluoroacetanilide
Synonyms
2'-Fluoroacetanilide
N-(2-Fluorophenyl)acetamide
N-(2-Fluorophenyl)acetamide
2'-Fluoroacetanilide 98%
2'-Fluoroacetanilide
o-FLUOROACETANILIDE
2′-Fluoroacetanilide
2'-氟乙酰苯胺
2-氟乙酰苯胺
CAS Number
399-31-5
330-68-7
EC Number
206-916-9
MDL Number
MFCD00000315
Beilstein Number
2717443
PubChem SID
24858058
160971057
PubChem CID
67860

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.074844  H Acceptors
H Donor LogD (pH = 5.5) 1.353658 
LogD (pH = 7.4) 1.3536494  Log P 1.3536581 
Molar Refractivity 41.1374 cm3 Polarizability 14.897338 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
76-78°C expand Show data source
76-80°C expand Show data source
77-79 °C(lit.) expand Show data source
Boiling Point
140-142 °C/14 mmHg(lit.) expand Show data source
140-142°C/14mm expand Show data source
140-142°C/14mm expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
AE2975000 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 expand Show data source
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CONHC6H4F expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213893 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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