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Sigma-Aldrich

4-Benzylaniline

97%

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Synonym(s):
4-Aminodiphenylmethane
Linear Formula:
C6H5CH2C6H4NH2
CAS Number:
1135-12-2
Molecular Weight:
183.25
MDL number:
MFCD00047861
UNSPSC Code:
12352100
PubChem Substance ID:
24879856
NACRES:
NA.22

Assay

97%

form

solid

mp

35-38 °C (lit.)

SMILES string

Nc1ccc(Cc2ccccc2)cc1

InChI

1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2

InChI key

WDTRNCFZFQIWLM-UHFFFAOYSA-N

General description

4-Benzylaniline (4-BA) undergoes hydrochlorination in the presence of HCl to yield 4-benzylaniline hydrochloride. Crystals of 4-BA exhibit monoclinic crystal system and space group P21/c.

Application

4-Benzylaniline (4-Aminodiphenylmethane) can be used to synthesize:
  • 2-amino-6-benzylbenzothiazole (SKA-7)
  • ethyl 2-((4-benzylphenylamino)methylen)-malonate
  • bis(4-benzylphenyl)-urea
  • 3:5-dibromo-4-aminodiphenylmethane via treatment with bromine solution
  • 3:5-di-iodo-4-aminodiphenylmethane via iodination reaction by using a suitable iodinating reagent[sodium iodate + potassium iodide]

WGK

WGK 3

Flash Point(F)

230.0 °F

Flash Point(C)

110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene.
Gibson EK, et al.
Physical Chemistry Chemical Physics, 11(2), 288-297 (2009)
"252.Some substitution reactions of 4-aminodiphenylmethane"
Waters.AW
Journal of the Chemical Society, 1060-1064 (1933)
Investigating the role of metal chelation in HIV-1 integrase strand transfer inhibitors.
Bacchi A, et al.
Journal of Medicinal Chemistry, 54(24), 8407-8420 (2011)
Naphtho [1, 2-d] thiazol-2-ylamine (SKA-31), a new activator of KCa2 and KCa3. 1 potassium channels, potentiates the endothelium-derived hyperpolarizing factor response and lowers blood pressure.
Sankaranarayanan A, et al.
Molecular Pharmacology, 75(2), 281-295 (2009)
Origin of impurities formed in a polyurethane production chain. Part 2: A route to the formation of colored impurities.
Callison J, et al.
Industrial & Engineering Chemistry Research, 51(34), 11021-11030 (2012)

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