N-Benzyl-4-bromobenzamide

Basic Information

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CAS Number

80311-89-3

Molecular Formula

C14H12BrNO

Molecular Weight

290.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)

InChIKey

RLXPLHLLCIBNAN-UHFFFAOYSA-N

LogP

3.379100000000001

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

243

Synonyms & References

English

AS-58472
SY317069
D97526
MFCD00443890
AKOS000186162
CS-0187578
MLS000692855
Cambridge id 5214056
N-BENZYL 4-BROMOBENZAMIDE
CHEMBL1885762
SCHEMBL8042301
DTXSID60354758
HMS2644G23
A864706
n-benzyl-4-bromobenzamide
80311-89-3
SMR000285612
N-Benzyl-4-bromobenzamide
N-Benzyl 4-bromobenzamide
4-bromo-N-benzylbenzamide

MDL Number

MFCD00443890

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-Benzyl-4-bromobenzamide (CAS: 80311-89-3)?

N-Benzyl-4-bromobenzamide (CAS: 80311-89-3) is a crystalline solid with a molecular weight of approximately 271.04 g/mol. It has a low solubility in water but is soluble in common organic solvents like methanol and acetone. The compound is moderately reactive with nucleophiles and electrophiles, making it suitable for various chemical transformations. Its melting point is around 125-127°C.

How is N-Benzyl-4-bromobenzamide (CAS: 80311-89-3) typically synthesized?

N-Benzyl-4-bromobenzamide (CAS: 80311-89-3) is commonly synthesized through the reaction of 4-bromobenzoic acid with benzylamine in the presence of a coupling agent like 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) and 4-(4-N-morpholino)pentane-1-sulfonic acid (MOPSO). The yield is typically around 85%, and the product is isolated by recrystallization from an appropriate solvent.

What industries use N-Benzyl-4-bromobenzamide (CAS: 80311-89-3)?

N-Benzyl-4-bromobenzamide (CAS: 80311-89-3) is used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry as a stabilizer and in sensors for its ability to interact with specific analytes. Additionally, it is used in the semiconductor industry for the fabrication of thin films and as a precursor in chemical vapor deposition processes.

What precautions should be taken when handling N-Benzyl-4-bromobenzamide (CAS: 80311-89-3)?

When handling N-Benzyl-4-bromobenzamide (CAS: 80311-89-3), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be performed in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.