Cas no 1135-12-2 (4-Benzylaniline)

4-Benzylaniline (CAS 1135-12-2) is an organic compound featuring both an aromatic amine and a benzyl group. This structure imparts versatility in synthetic applications, particularly as an intermediate in the production of dyes, pharmaceuticals, and agrochemicals. Its amine group enables participation in diazotization and coupling reactions, while the benzyl moiety offers potential for further functionalization. The compound exhibits moderate solubility in organic solvents, facilitating its use in diverse reaction conditions. 4-Benzylaniline is valued for its stability under standard handling conditions and its role in constructing complex molecular architectures. Proper storage under inert atmospheres is recommended to prevent oxidation of the amine group.
4-Benzylaniline structure
4-Benzylaniline structure
Product Name:4-Benzylaniline
CAS No:1135-12-2
MF:C13H13N
MW:183.249023199081
MDL:MFCD00047861
CID:83435
PubChem ID:24879856
Update Time:2025-06-08

4-Benzylaniline Chemical and Physical Properties

Names and Identifiers

    • 4-Aminodiphenylmethane
    • 4-Benzylaniline
    • 4-(Phenylmethyl)-Benzenamine
    • 4-BENZYLANILIN
    • 4-benzylbenzenaMine
    • 4-benzylphenylamine
    • 4-BENZYL-PHENYLAMINE
    • BENZENAMINE,4-(PHENYLMETHYL)-
    • P-AMINODIPHENYL METHANE
    • p-benzylaniline
    • p-Aminodiphenylmethane
    • Benzenamine, 4-(phenylmethyl)-
    • WDTRNCFZFQIWLM-UHFFFAOYSA-N
    • 4-benzyl-aniline
    • 4-benzyl aniline
    • 4-Benzylaniline #
    • p-Aminodiphenylmethan
    • PubChem18531
    • 4-(phenylmethyl)aniline
    • Oprea1_734691
    • Oprea1_296859
    • KSC493I2N
    • HMS1675O07
    • BBL022986
    • STL290412
    • SBB010088
    • CM1
    • InChI=1/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H
    • AM20020227
    • 4-Benzylaniline, 97%
    • TS-02558
    • SCHEMBL202238
    • SY050281
    • A24668
    • J-002973
    • 4-(phenylmethyl)benzenamine
    • AC-20647
    • EN300-67230
    • F0001-0278
    • 1135-12-2
    • BB 0216419
    • FT-0617575
    • DTXSID50150423
    • MFCD00047861
    • AKOS000530845
    • BP-10844
    • CS-W020050
    • A1260
    • Z1069980254
    • aniline, 4-benzyl-
    • 4-Benzylaniline hydrochloride (1:1)
    • MDL: MFCD00047861
    • 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
    • SMILES: NC1C=CC(=CC=1)CC1C=CC=CC=1
    • BRN: 2208463

Computed Properties

  • Exact Mass: 183.10500
  • Monoisotopic Mass: 183.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.2
  • Topological Polar Surface Area: 26

Experimental Properties

  • Color/Form: Colorless to yellow transparent liquid
  • Density: 1.070±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 36.0 to 43.0 deg-C
  • Boiling Point: 142-144°C 1mm
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: 1.6118 (estimate)
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),
  • PSA: 26.02000
  • LogP: 3.44080
  • pka: 2.17(at 25℃)
  • Solubility: Insoluble

4-Benzylaniline Security Information

4-Benzylaniline Pricemore >>

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4-Benzylaniline Production Method

4-Benzylaniline Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1135-12-2)4-Benzylaniline
Order Number:A24668
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:17
Price ($):236.0

Additional information on 4-Benzylaniline

Professional Introduction to 4-Benzylaniline (CAS No. 1135-12-2)

4-Benzylaniline, with the chemical identifier CAS No. 1135-12-2, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This aromatic amine derivative has garnered considerable attention due to its versatile applications in drug development, particularly in the synthesis of bioactive molecules and intermediates. The structural integrity of this compound, featuring a benzyl group attached to an aniline moiety, makes it a valuable building block for various pharmacological investigations.

The utility of 4-Benzylaniline extends across multiple domains, including medicinal chemistry, where it serves as a precursor in the preparation of more complex molecules. Its role in the development of novel therapeutic agents has been underscored by recent studies exploring its potential in modulating biological pathways. Specifically, research has highlighted its significance in the synthesis of small-molecule inhibitors targeting enzymatic pathways implicated in diseases such as cancer and neurodegenerative disorders.

In the realm of synthetic organic chemistry, 4-Benzylaniline is valued for its reactivity and adaptability in forming various chemical bonds. Its benzyl group can participate in reactions such as nucleophilic substitution and condensation, facilitating the construction of intricate molecular frameworks. This characteristic has made it a staple in laboratory settings where complex organic transformations are required.

Recent advancements in drug discovery have seen 4-Benzylaniline being employed in the design of peptidomimetics and protein kinase inhibitors. The benzyl group enhances solubility and stability, which are critical factors in pharmaceutical formulations. Furthermore, modifications to the aniline moiety can fine-tune electronic properties, influencing binding affinity and selectivity. Such modifications are often guided by computational modeling and high-throughput screening techniques.

The pharmacological profile of derivatives derived from CAS No. 1135-12-2 has been extensively studied. For instance, analogs featuring different substituents on the aniline ring have shown promise in preclinical trials as potential treatments for inflammatory conditions. The ability to systematically vary substituents allows researchers to optimize pharmacokinetic and pharmacodynamic properties, leading to more effective therapeutic candidates.

The industrial production of 4-Benzylaniline adheres to stringent quality control measures to ensure purity and consistency. Manufacturers employ advanced purification techniques such as recrystallization and chromatography to meet the demands of pharmaceutical applications. These processes are critical because impurities can significantly affect the efficacy and safety of final drug products.

The environmental impact of synthesizing and handling CAS No. 1135-12-2 is also a consideration in modern research practices. Efforts are underway to develop greener synthetic routes that minimize waste and reduce energy consumption. Such initiatives align with broader sustainability goals within the chemical industry, ensuring that pharmaceutical development remains environmentally responsible.

In conclusion, 4-Benzylaniline represents a cornerstone compound in pharmaceutical research and industrial applications. Its unique structural features and reactivity make it indispensable for developing novel therapeutics targeting various diseases. As research continues to uncover new applications and synthetic methodologies, the importance of this compound is expected to grow further, solidifying its role as a key player in medicinal chemistry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1135-12-2)4-Benzylaniline
A24668
Purity:99%
Quantity:100g
Price ($):236.0
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