4'-Pentyl-4-biphenylcarboxylic acid

Basic Information

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CAS Number

59662-47-4

Molecular Formula

C18H20O2

Molecular Weight

268.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20)

InChIKey

VRGQQLFRUKMDSW-UHFFFAOYSA-N

LogP

4.784500000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

284

Synonyms & References

English

FT-0640622
AB01332248-02
4'-Pentyl-[1,1'-biphenyl]-4-carboxylic acid
4-(4-pentylphenyl)benzoic acid
4-(4-n-pentylphenyl)-benzoic acid
NCGC00341457-01
CHEMBL197292
4'-pentylbiphenyl-4-carboxylic acid
AS-60878
EU-0000039
MFCD00222813
BDBM50475527
4-n-pentyl-biphenyl-4'-carboxylic acid
DTXSID20366236
AKOS000618764
4-(4-n-pentylphenyl)benzoic acid
CS-0152314
4'-pentyl[1,1'-biphenyl]-4-carboxylic acid
4'-Pentyl-biphenyl-4-carboxylic acid
C75783
VRGQQLFRUKMDSW-UHFFFAOYSA-N
4'-Pentyl-[1,1'-biphenyl]-4-carboxylicacid
A832409
4'-n-pentyl-4-biphenylcarboxylic acid
59662-47-4
SCHEMBL1367039
4-n-Pentylbiphenyl-4'-carboxylic acid
4-(4-n-Pentylphenyl)benzoic acid
4-amyl-4'-carboxybiphenyl
4'-n-pentyl-<1,1'-biphenyl>-4-carboxylic acid
4-Pentyl-4'-biphenylcarboxylic acid

MDL Number

MFCD00222813

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4)?

4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4) is a white crystalline solid with a molecular weight of approximately 290.39 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases. It has a melting point of around 85-87°C and a boiling point of about 353-356°C. It is used in various applications due to its unique structure and properties.

How is 4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4) typically synthesized?

4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4) is typically synthesized via a multistep process involving the coupling of biphenyl and pentylation of the phenol group. Commonly, this involves using a Grignard reagent or another alkylation method. The reaction conditions, such as temperature and solvent, need to be carefully controlled to achieve high yield and selectivity. The final product is purified by recrystallization or other standard techniques.

What industries use 4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4)?

4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4) is used in various industries, including pharmaceuticals for drug synthesis, polymers for material modification, and sensors for detecting specific chemical species. It is also used in the development of semiconductors and other advanced materials due to its unique chemical structure and reactivity.

What precautions should be taken when handling 4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4)?

When handling 4'-Pentyl-4-biphenylcarboxylic acid (CAS: 59662-47-4), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight. It should be handled in a well-ventilated area or fume hood to prevent inhalation. In case of a spill, it should be cleaned up immediately using appropriate procedures. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.