2,2'-Biquinoline-4,4'-dicarboxylic acid

Basic Information

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CAS Number

1245-13-2

Molecular Formula

C20H12N2O4

Molecular Weight

344.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

365°C

Boiling Point

626.2°C at 760 mmHg

SMILES

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C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h1-10H,(H,23,24)(H,25,26)

InChIKey

AFYNADDZULBEJA-UHFFFAOYSA-N

LogP

3.8464000000000027

Topological Polar Surface Area

100.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

506

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BCA
2,2-Biquinoline-4,4-dicarboxylic acid
SCHEMBL18746
4,4'-Dicarboxy-2,2'-biquinolyl
N11960
A890500
2,2 inverted exclamation mark -Biquinoline-4,4 inverted exclamation mark -dicarboxylic Acid
Bicinchoninic acid
1245-13-2
AS-20125
4,4'-Dicarboxy-2,2'-biquinoline
W-200095
AM84362
2,2'-Bi-cinchoninic acid
NSC 133815
(2,2'-Biquinoline)-4,4'-dicarboxylic acid
2,2'-Biquinoline-4,4'-dicarboxylic acid dipotassium salt trihydrate
[2,2'-Biquinoline]-4,4'-dicarboxylicacid
NCGC00245877-02
MLS001195899
SY036269
NS00024021
NCGC00245877-01
Q386096
NSC133815
MFCD00068342
bicinchoninic acid disodium salt
2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
CX56TX9Y1I
UNII-CX56TX9Y1I
2,2'-Biquinolinyl-4,4'-dicarboxylic acid

MDL Number

MFCD00068342

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 2,2'-Biquinoline-4,4'-dicarboxylic acid (CAS: 1245-13-2)?

2,2'-Biquinoline-4,4'-dicarboxylic acid is a crystalline solid with a molecular weight of approximately 282.11 g/mol. It has a solubility of about 16 g/L in water and is moderately reactive, particularly towards nucleophilic substitution reactions. It is insoluble in common organic solvents like ethanol and acetone.

How is 2,2'-Biquinoline-4,4'-dicarboxylic acid (CAS: 1245-13-2) typically synthesized?

2,2'-Biquinoline-4,4'-dicarboxylic acid is typically synthesized via the Barton-McCombie deoxygenation of 2,2'-biquinoline, followed by the introduction of carboxylic acid groups. Common catalysts include copper(II) chloride and boron trifluoride etherate, with high selectivity and yields up to 90%.

What industries use 2,2'-Biquinoline-4,4'-dicarboxylic acid (CAS: 1245-13-2)?

2,2'-Biquinoline-4,4'-dicarboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the development of novel materials, in the semiconductor industry for the fabrication of organic semiconductors, and in chemical sensing applications for the construction of gas sensors.

What precautions should be taken when handling 2,2'-Biquinoline-4,4'-dicarboxylic acid (CAS: 1245-13-2)?

When handling 2,2'-Biquinoline-4,4'-dicarboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, dry, and well-ventilated area, and handled in a fume hood to minimize exposure. In case of a spill, it should be cleaned up according to the Material Safety Data Sheet (MSDS) guidelines.