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65760

Sigma-Aldrich

N-Methylaniline

purum, ≥98.0% (GC)

Sinônimo(s):

Monomethylaniline

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About This Item

Fórmula linear:
C6H5NHCH3
Número CAS:
100-61-8
Peso molecular:
107.15
Beilstein:
741982
Número CE:
202-870-9
Número MDL:
MFCD00008283
Código UNSPSC:
12352100
ID de substância PubChem:
329760102
NACRES:
NA.22

grau

purum

Nível de qualidade

200

Ensaio

≥98.0% (GC)

índice de refração

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

pb

196 °C (lit.)

pf

−57 °C (lit.)

densidade

0.989 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

CNc1ccccc1

InChI

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

chave InChI

AFBPFSWMIHJQDM-UHFFFAOYSA-N

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Categorias relacionadas

Palavra indicadora

Danger

Classificações de perigo

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

Órgãos-alvo

Liver,spleen,Bone marrow

Código de classe de armazenamento

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

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

185.0 °F - closed cup

Ponto de fulgor (°C)

85 °C - closed cup

Equipamento de proteção individual

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

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Certificados de análise (COA)

Lot/Batch Number
BCCK5898
BCCH2263
BCCD0298
BCCB9686
BCBS7450V

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Sigma-Aldrich

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Phenanthrene 98%

Sigma-Aldrich

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Óleo mineral light

Sigma-Aldrich

330779

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p-Toluic acid 98%

Sigma-Aldrich

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p-Toluic acid

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)
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
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
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