3-Amino-4-chloro-N-isobutylbenzamide

Basic Information

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CAS Number

723291-67-6

Molecular Formula

C11H15ClN2O

Molecular Weight

226.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)

InChIKey

XQMAOLZOUVKKEF-UHFFFAOYSA-N

LogP

2.3080000000000003

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

221

Synonyms & References

English

MFCD05882587
AKOS000134522
YDB29167
SY018774
A866277
SMR000229162
CS-0455232
FT-0734879
723291-67-6
SCHEMBL10324045
AS-32261
HMS2510E07
AN-652/43163424
3-amino-4-chloro-N-isobutylbenzamide
CHEMBL1584124
SB77379
3-amino-4-chloro-N-(2-methylpropyl)benzamide
MLS000698941
3-Amino-4-chloro-N-isobutylbenzamide
5796AJ
TRA0064281
AX8269028

MDL Number

MFCD05882587

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 3-Amino-4-chloro-N-isobutylbenzamide (CAS: 723291-67-6)?

3-Amino-4-chloro-N-isobutylbenzamide is a crystalline solid with a molecular weight of approximately 262.11 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing basic properties due to the amino group and the aromatic system. It does not typically decompose under normal conditions but can hydrolyze under strongly acidic or basic conditions.

How is 3-Amino-4-chloro-N-isobutylbenzamide (CAS: 723291-67-6) typically synthesized?

3-Amino-4-chloro-N-isobutylbenzamide is typically synthesized via a multi-step process starting with aniline, which is chlorinated and then amidated with isobutylamine. The synthesis involves the use of basic catalysts such as sodium hydroxide and requires careful control of reaction conditions to achieve high selectivity and yield. The final product is purified by recrystallization from suitable solvents.

In which industries is 3-Amino-4-chloro-N-isobutylbenzamide (CAS: 723291-67-6) used?

3-Amino-4-chloro-N-isobutylbenzamide is used in the pharmaceutical industry for its biological activity. It is also explored in the polymer industry for modifying the properties of polymers. Additionally, it has applications in sensors for detecting specific chemicals and in the semiconductor industry for layer modification processes. However, its specific applications may vary based on the exact chemical modifications and formulations.

What precautions should be taken when handling 3-Amino-4-chloro-N-isobutylbenzamide (CAS: 723291-67-6)?

When handling 3-Amino-4-chloro-N-isobutylbenzamide, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Care should be taken to avoid contact with eyes, skin, and inhalation. Always refer to the safety data sheet (SDS) for detailed information on handling and disposal.