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65760

Sigma-Aldrich

N-Methylaniline

purum, ≥98.0% (GC)

Synonyme(s) :

Monomethylaniline

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About This Item

Formule linéaire :
C6H5NHCH3
Numéro CAS:
100-61-8
Poids moléculaire :
107.15
Numéro Beilstein :
741982
Numéro CE :
202-870-9
Numéro MDL:
MFCD00008283
Code UNSPSC :
12352100
ID de substance PubChem :
329760102
Nomenclature NACRES :
NA.22

Qualité

purum

Niveau de qualité

200

Pureté

≥98.0% (GC)

Indice de réfraction

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

Point d'ébullition

196 °C (lit.)

Pf

−57 °C (lit.)

Densité

0.989 g/mL at 25 °C (lit.)

Chaîne SMILES 

CNc1ccccc1

InChI

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

Clé InChI

AFBPFSWMIHJQDM-UHFFFAOYSA-N

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Pictogrammes

Skull and crossbonesHealth hazardEnvironment
GHS06,GHS08,GHS09

Mention d'avertissement

Danger

Classification des risques

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

Organes cibles

Liver,spleen,Bone marrow

Code de la classe de stockage

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

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

185.0 °F - closed cup

Point d'éclair (°C)

85 °C - closed cup

Équipement de protection individuelle

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

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Certificats d'analyse (COA)

Lot/Batch Number
BCCD0298
BCCB9686
BCBS7450V
BCBS7341V
BCBR8272V

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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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