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Merck
CN

65760

N-Methylaniline

purum, ≥98.0% (GC)

Synonym(s):

Monomethylaniline

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About This Item

Linear Formula:
C6H5NHCH3
CAS Number:
100-61-8
Molecular Weight:
107.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329760102
EC Number:
202-870-9
Beilstein/REAXYS Number:
741982
MDL number:
MFCD00008283

Key Documents

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Product Name

N-Methylaniline, purum, ≥98.0% (GC)

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

purum

assay

≥98.0% (GC)

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.)

functional group

amine

Quality Level

200

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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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCK5898
BCCH2263
BCCD0298
BCCB9686
BCBS7450V

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Allison G Condie et al.
ChemMedChem, 7(12), 2194-2203 (2012-11-09)
Myelination is a fundamental biological process in the vertebrate nervous system. Damage to or malformation of myelin can lead to various neurological diseases; for example, demyelination in the spinal cord is a major cause of paralysis of patients suffering from
V Arjunan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 72(2), 436-444 (2008-12-17)
The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline have been measured in the range 4000-400 and 4000-100cm(-1), respectively. Utilising the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of
Dongmei Li et al.
Dalton transactions (Cambridge, England : 2003), (2)(2), 291-297 (2008-12-18)
The mechanism of N-dealkylation of N-cyclopropyl-N-methylaniline () catalyzed by cytochrome P450 (P450) was investigated using density functional theory. This reaction involves two steps. The first one is a Calpha-H hydroxylation on the N-substituent to form a carbinolaniline complex, and the
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
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