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Merck

49636

N-Methylaniline

analytical standard

Synonym(s):

Monomethylaniline

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About This Item

Linear Formula:
C6H5NHCH3
CAS Number:
100-61-8
Molecular Weight:
107.15
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757499
EC Number:
202-870-9
Beilstein/REAXYS Number:
741982
MDL number:
MFCD00008283

Key Documents

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Product Name

N-Methylaniline, analytical standard

InChI key

AFBPFSWMIHJQDM-UHFFFAOYSA-N

InChI

1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

SMILES string

CNc1ccccc1

grade

analytical standard

assay

≥98.5%

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.571 (lit.)
n20/D 1.571

bp

196 °C (lit.)

mp

−57 °C (lit.)

density

0.989 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

Quality Level

100

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N-Methylaniline analytical standard

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51788

Aniline

2,6-Dimethylaniline analytical standard

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442327

2,6-Dimethylaniline

Propionitrile analytical standard

Supelco

76671

Propionitrile

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

environmental

application(s)

environmental

application(s)

environmental

application(s)

environmental

format

neat

format

neat

format

neat

format

neat

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

grade

analytical standard

grade

analytical standard

grade

analytical standard

grade

analytical standard

assay

≥98.5%

assay

≥99.5% (GC)

assay

>99% (GC)

assay

≥99.5% (GC)

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - STOT RE 2 Oral

target_organs

Liver,spleen,Bone marrow

Storage Class

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

wgk

WGK 3

flash_point_f

185.0 °F - closed cup

flash_point_c

85 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN2391
BCCL5110
BCCH4496
BCCF9518
BCBZ7926

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Jonathan L Sessler et al.
Chemical communications (Cambridge, England), (14)(14), 1892-1894 (2005-03-30)
A novel porphyrin-fullerene dyad assembled through Watson-Crick hydrogen bonds is described; this system undergoes photoinduced electron transfer upon irradiation with visible light to produce a charge separated state that is substantially longer lived than that of previous dyads of this
S Ramalingam et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 76(1), 84-92 (2010-03-26)
The FTIR and FTRaman spectra of 2-bromo-4-methyl aniline (2-B-4-MA) molecule have been recorded using Brucker IFS 66V spectrometer in the range of 4000-100 cm(-1). The molecular geometry and vibrational frequencies in the ground state are calculated using the Hartree-Fock (HF)
V Kameshwara Rao et al.
Bioorganic & medicinal chemistry letters, 21(12), 3511-3514 (2011-05-27)
An efficient and economical method was developed for the synthesis of 3-substituted indoles by one-pot three-component coupling reaction of a substituted or unsubstituted benzaldehyde, N-methylaniline, and indole or N-methylindole using Yb(OTf)(3)-SiO(2) as a catalyst. All the synthesized compounds were evaluated
Israel González et al.
Organic letters, 11(8), 1677-1680 (2009-04-10)
N-Methylanilines are readily synthesized in high yields through the copper(II)-promoted coupling of anilines and methylboronic acid. This method represents a new approach for the selective monomethylation of anilines, and it is the first reported example of a Chan-Lam coupling involving
Mehmet Karabacak et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 72(5), 1076-1083 (2009-02-14)
In this work, the experimental and theoretical vibrational spectra of 2-chloro-4-methylaniline (2Cl4MA, C(7)H(8)NCl) were studied. FT-IR and FT-Raman spectra of 2Cl4MA in the liquid phase have been recorded in the region 4000-400cm(-1) and 3500-50cm(-1), respectively. The structural and spectroscopic data
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