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397229

Acetanilide

purified by sublimation, ≥99.9%

Synonym(s):

N-Phenylacetamide

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About This Item

Linear Formula:
CH3CONHC6H5
CAS Number:
103-84-4
Molecular Weight:
135.16
NACRES:
NA.22
PubChem Substance ID:
24864694
eCl@ss:
39031308
UNSPSC Code:
12352100
EC Number:
203-150-7
MDL number:
MFCD00008674
Beilstein/REAXYS Number:
606468
Assay:
≥99.9%
Form:
solid
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vapor density

4.65 (vs air)

Quality Level

100

vapor pressure

1 mmHg ( 114 °C)

assay

≥99.9%

form

solid

autoignition temp.

1004 °F

purified by

sublimation

bp

304 °C (lit.)

mp

113-115 °C (lit.)

functional group

amide

SMILES string

CC(=O)Nc1ccccc1

InChI

1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)

InChI key

FZERHIULMFGESH-UHFFFAOYSA-N

General description

Pd(OAc)2 and Cu(OAc)2 catalyzed regioselective C-H functionalization/halogenation of acetanilide has been reported to afford ortho-haloacetanilides. Crystal structure of acetanilide has been studied by X-ray diffraction. Photorearrangement of acetanilide has been studied in the presence of β-cyclodextrin (cycloheptaamylose). Two-color REMPI (resonance enhanced multiphoton ionization) and ZEKE (zero kinetic energy photoelectron) spectra of the trans-acetanilide·H2O complex has been reported. Femtosecond IR spectroscopy of delocalized NH excitations of crystalline acetanilide has been studied. Fries rearrangement of acetanilide over zeolites Y and Beta affords corresponding aminoacetophenones.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

321.8 °F - closed cup

flash_point_c

161 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

397229-5G:4.548173393872E12 + 397229-25G:4.548173393865E12

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Certificates of Analysis (COA)

Lot/Batch Number
55696PJ
09010AJ
11909MH
04316AH
08513TE

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A REMPI and ZEKE Spectroscopic Study of trans-Acetanilide? H2O and Comparison to Ab Initio CASSCF Calculations.
Ullrich S and Muller-Dethlefs K.
The Journal of Physical Chemistry A, 106(40), 9188-9195 (2001)
William Cremlyn RJ.
Chlorosulfonic Acid, 103-103 (2002)
Xiaobing Wan et al.
Journal of the American Chemical Society, 128(23), 7416-7417 (2006-06-08)
Highly regioselective C-H functionalization/halogenation of acetanilides to produce ortho-haloacetanilides was catalyzed by Pd(OAc)2 and Cu(OAc) 2 with CuX2 as the halogen source.
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