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560235

Sigma-Aldrich

4-Benzylaniline

97%

Synonym(s):

4-Aminodiphenylmethane

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About This Item

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.[1]

Application

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

560235-BULK:
560235-5G:
560235-VAR:
560235-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC6482
03720HH
03220TE
04701PE
01511DD

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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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