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Merck
CN

494208

N-Methyl-p-toluidine

98%

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About This Item

Linear Formula:
CH3C6H4NHCH3
CAS Number:
623-08-5
Molecular Weight:
121.18
NACRES:
NA.22
PubChem Substance ID:
24872886
UNSPSC Code:
12352100
EC Number:
210-769-6
MDL number:
MFCD00025628
Assay:
98%

Key Documents

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InChI key

QCIFLGSATTWUQJ-UHFFFAOYSA-N

InChI

1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3

SMILES string

CNc1ccc(C)cc1

assay

98%

refractive index

n20/D 1.557 (lit.)

bp

212 °C (lit.)

density

0.958 g/mL at 25 °C (lit.)

functional group

amine

Quality Level

100

Related Categories

General description

N-Methyl-p-toluidine is an aromatic secondary amine. It forms social isomers when encapsulated with a molecule of chloroform or benzene in a cylindrical capsule. 2-amino-4,6-dichloropyrimidine-5-carbaldehyde undergoes mono-amination with N-methyl-p-toluidine to form a precursor for the preparation of pyrazolo[3,4-d]pyrimidines. It annelates with dimethyl acetylenedicarboxylate via formation of toluidine radical cation intermediate.

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - STOT RE 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

183.0 °F - closed cup

flash_point_c

83.89 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5183
STBL3844
STBH3737
STBG3897V
STBF3538V

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Simultaneous encapsulation: molecules held at close range.
Rebek J.
Angewandte Chemie (International Edition in English), 44(14), 2068-2078 (2005)
Microwave-assisted synthesis of pyrazolo [3,4-d] pyrimidines from 2-amino-4, 6-dichloropyrimidine-5-carbaldehyde under solvent-free conditions.
Quiroga J, et al.
Tetrahedron Letters, 49(20), 3257-3259 (2008)
Palladium-promoted aromatic annelation with acetylene dicarboxylates.
Sakakibara T, et al.
Chemistry Letters (Jpn), 15(5), 797-800 (1986)

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