Diethyl 4,4'-biphenyldicarboxylate

Basic Information

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CAS Number

47230-38-6

Molecular Formula

C18H18O4

Molecular Weight

298.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

112.0 to 116.0 deg-C

Boiling Point

431.3°C at 760 mmHg

Density

1.132

Flash Point

215°C

Refractive Index

1.547

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H18O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h5-12H,3-4H2,1-2H3

InChIKey

SYTZNHBXNLYWAK-UHFFFAOYSA-N

LogP

3.7070000000000025

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

327

Synonyms & References

English

ethyl 4-(4-ethoxycarbonylphenyl)benzoate
4,4 inverted exclamation marka-Diethyl [1,1 inverted exclamation marka-biphenyl]-4,4 inverted exclamation marka-dicarboxylate
DTXSID70294075
A827174
NSC-93978
FT-0617005
Diethyl biphenyl-4,4'-dicarboxylate
B0831
4,4'-Bibenzoic Acid Diethyl Ester
SY053513
Biphenyl-4,4'-dicarboxylic acid diethyl ester
NSC93978
Diethyl 4,4'-Bibenzoate
4,4'-Bis(ethoxycarbonyl)biphenyl
diethyl biphenyl 4,4'-dicarboxylate
Diethyl [1,1'-biphenyl]-4,4'-dicarboxylate
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-diethyl ester
4,4'-Biphenyl dicarboxylicacid diethylester
AS-65421
Diethyl [1,1'-biphenyl]-4,4'-dicarboxylate #
Diethyl 4,4 inverted exclamation mark -Biphenyldicarboxylate
Diethyl-4,4'-diphenyldicarboxylate
AC-20954
[1,1'-Biphenyl]-4,4'-dicarboxylicacid,4,4'-diethyl ester
4,4'-Biphenyldicarboxylic acid diethyl ester
CS-0207259
T70943
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, diethyl ester
SYTZNHBXNLYWAK-UHFFFAOYSA-N
MFCD00017270
SCHEMBL1965326

MDL Number

MFCD00017270

Customs Code

2917399090

FAQ

What are the physical and chemical properties of Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6)?

Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6) is a crystalline compound with a molecular weight of approximately 292.3 g/mol. It has a high melting point and low solubility in water but is soluble in organic solvents. Chemically, it is relatively stable but can react with bases to form carboxylate salts. It is a bis(benzoic acid) derivative with potential use in various applications due to its structural integrity.

How is Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6) typically synthesized?

Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6) is typically synthesized through the esterification of 4,4'-biphenyldicarboxylic acid with diethyl alcohol. Commonly, this process is catalyzed by acids such as sulfuric acid, with yields up to 90%. The reaction involves heating under reflux conditions, followed by purification through recrystallization.

What industries use Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6)?

Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6) is utilized in various industries including pharmaceuticals for its chemical intermediates, polymers to enhance properties, and in the production of sensors and semiconductors due to its stability and reactivity.

What precautions should be taken when handling Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6)?

When handling Diethyl 4,4'-biphenyldicarboxylate (CAS: 47230-38-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, well-ventilated area away from heat sources and incompatible materials. In case of spill, use an appropriate absorbent material, and consult a safety data sheet (SDS) for detailed instructions.