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Merck
CN

273244

3′-Methylacetanilide

98%

Synonym(s):

m-Acetotoluidide

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About This Item

Linear Formula:
CH3CONHC6H4CH3
CAS Number:
537-92-8
Molecular Weight:
149.19
NACRES:
NA.22
PubChem Substance ID:
24856535
UNSPSC Code:
12352100
EC Number:
208-678-1
MDL number:
MFCD00014962

Key Documents

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InChI key

ALMHSXDYCFOZQD-UHFFFAOYSA-N

InChI

1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)

SMILES string

CC(=O)Nc1cccc(C)c1

vapor pressure

16 mmHg ( 163 °C)

assay

98%

bp

303 °C (lit.)

mp

65-67 °C (lit.)

solubility

alcohol: freely soluble(lit.), diethyl ether: freely soluble(lit.), water: slightly soluble(lit.)

General description

The IR spectra and the structural data of 3′-methylacetanilide was studied.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBG8646
STBF5535V
STBD1791V
S42399
17508HO

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Wioleta Rmiszek-Lindert et al.
Acta crystallographica. Section C, Crystal structure communications, 64(Pt 11), o599-o603 (2008-11-08)
Molecules of the title compounds, 3'-methylacetanilide [or N-(m-tolyl)acetamide], C(9)H(11)NO, (I), and N-benzylthioacetamide, C(9)H(11)NS, (II), are connected by a framework of intermolecular N-H...O and N-H...S hydrogen bonds, respectively, forming chains with the graph-set description C(4), which run along the b axis.

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