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103-84-4 molecular structure
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N-phenylacetamide

ChemBase ID: 73094
Molecular Formular: C8H9NO
Molecular Mass: 135.16316
Monoisotopic Mass: 135.06841391
SMILES and InChIs

SMILES:
CC(=O)Nc1ccccc1
Canonical SMILES:
CC(=O)Nc1ccccc1
InChI:
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChIKey:
FZERHIULMFGESH-UHFFFAOYSA-N

Cite this record

CBID:73094 http://www.chembase.cn/molecule-73094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-phenylacetamide
IUPAC Traditional name
anilide
acetanilide
Synonyms
N-phenylacetamide
Acetanil
Acetamidobenzene
Acetylaniline
NSC 7636
Acetanilide
Acetanilide
N-Phenyl-acetamide
N-Acetyl-benzenamine
Antifebrin
Acetoanilide
NSC 203231
Phenalgene
Phenalgin
Acetylaniline
N-Phenylacetamide
N-Acetylaniline
N-苯乙酰胺
乙酰苯胺
CAS Number
103-84-4
EC Number
203-150-7
MDL Number
MFCD00008674
Beilstein Number
606468
Merck Index
1450
PubChem SID
162038014
24864695
24847121
24845022
24864694
24845023
PubChem CID
904
CHEBI ID
28884
CHEMBL
269644
Chemspider ID
880
KEGG ID
C07565
Unique Ingredient Identifier
SP86R356CC
Wikipedia Title
Acetanilide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.3760395  H Acceptors
H Donor LogD (pH = 5.5) 1.2109562 
LogD (pH = 7.4) 1.2109561  Log P 1.2109562 
Molar Refractivity 40.921 cm3 Polarizability 15.206652 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)
Solubility
<0.1 g/100 mL at 22 °C in water expand Show data source
Soluble in ethanol, diethyl ether, acetone, benzene expand Show data source
Melting Point
113-115 °C expand Show data source
113-115 °C(lit.) expand Show data source
113-116 °C expand Show data source
113-116°C expand Show data source
114.3 °C (236.7 °F) expand Show data source
Boiling Point
304 °C (579 °F) expand Show data source
304 °C(lit.) expand Show data source
304-305°C expand Show data source
Flash Point
161 °C expand Show data source
161°C(321°F) expand Show data source
321.8 °F expand Show data source
Auto Ignition Point
1004 °F expand Show data source
545 °C (1013 °F) expand Show data source
Density
1.121 expand Show data source
1.219 g/cm3 expand Show data source
Vapor Pressure
1 mmHg ( 114 °C) expand Show data source
2 Pa (20 °C) expand Show data source
Vapor Density
4.65 (vs air) expand Show data source
Partition Coefficient
1.16 (23 °C) expand Show data source
Storage Condition
-20°C expand Show data source
RTECS
AD7350000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
22-26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
EU Index
Not listed expand Show data source
GHS Pictograms
GHS exclamation mark : Acute Tox. (oral) 4 expand Show data source
GHS07 expand Show data source
GHS Signal Word
WARNING expand Show data source
Warning expand Show data source
GHS Hazard statements
302 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
264, 270, 301+312, 330, 501 expand Show data source
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
≥98.0% (HPLC) expand Show data source
≥99% (from N) expand Show data source
≥99.5% (CHN) expand Show data source
≥99.9% expand Show data source
≥99.95% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
puriss. p.a. expand Show data source
zone-refined expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
Purified By
sublimation expand Show data source
Pharmacopeia Traceability
traceable to USP 1004001 expand Show data source
Linear Formula
CH3CONHC6H5 expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Selleck Chemicals - S2538 external link
Research Area: Neurological Disease
Biological Activity:
Acetanilide (Antifebrin) is an aniline derivative and has possess analgesic. Acetanilide is used as an inhibitor in hydrogen peroxide. Acetanilide (Antifebrin) is used to stabilize cellulose ester varnishes. Acetanilide (Antifebrin) has also found uses in the intermediation in rubber accelerator synthesis, dyes and dye intermediate synthesis, and camphor synthesis. Acetanilide (Antifebrin) is used for the production of 4-acetamidobenzenesulfonyl chloride, a key intermediate for the manufacture of the sulfa drugs. Acetanilide (Antifebrin) is also a precursor in the synthesis of penicillin and other pharmaceuticals. [1][2][3]
Sigma Aldrich - 397237 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 397229 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 112933 external link
Packaging
1 kg in poly bottle
100, 500 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 00401 external link
Application
suitable as standard for the determination of C, H, N, O
Toronto Research Chemicals - A168330 external link
The first aniline derivative found to possess analgesic and antipyretic properties. An Acetaminophen (A161220) impurity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • LESTER D et al. J Pharmacol Exp Ther. 1947 May; 90(1):68-75.
  • • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010)
  • • Chang, C., et al.: J. Nat. Prod., 73, 229 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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