6-Bromo-3-quinolinecarboxylic acid

Basic Information

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CAS Number

798545-30-9

Molecular Formula

C10H6BrNO2

Molecular Weight

252.07 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

403.1°C at 760 mmHg

Density

1.732

Flash Point

197.6°C

Refractive Index

1.709

SMILES

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C1=CC2=NC=C(C=C2C=C1Br)C(=O)O

InChI

InChI=1S/C10H6BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)

InChIKey

HVNYDSMSHWJYHG-UHFFFAOYSA-N

LogP

2.6955

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

234

Safety Information

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Hazard Statement

Synonyms & References

English

6-Bromoquinoline-3-carboxylic acid
6-BROMOQUINOLINE-3-CARBOXYLICACID
SY104185
6-bromo-quinoline-3-carboxylic acid
FT-0746488
AMY26331
BCP15845
6-bromoquinoline-3-carboxylic acid, AldrichCPR
798545-30-9
DTXSID70588865
HVNYDSMSHWJYHG-UHFFFAOYSA-N
CS-W004890
Z1269167434
AKOS005258688
DS-12930
EN300-190088
3-Quinolinecarboxylic acid, 6-bromo-
A850555
AB45078
W-203823
SCHEMBL9508
MFCD08437553
3-Quinolinecarboxylicacid, 6-bromo-
3-Quinolinecarboxylicacid,6-bromo
OR3615
QU042
STL557023
BBL103213
FCH1386796
AB0049486
ST24045235

MDL Number

MFCD08437553

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 6-Bromo-3-quinolinecarboxylic acid (CAS: 798545-30-9)?

6-Bromo-3-quinolinecarboxylic acid is a crystalline solid with a molecular weight of approximately 240.04 g/mol. It has a pKa of around 1.6 and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It exhibits good reactivity towards nucleophiles and can be used in various synthesis reactions.

How is 6-Bromo-3-quinolinecarboxylic acid (CAS: 798545-30-9) typically synthesized?

6-Bromo-3-quinolinecarboxylic acid is commonly synthesized via bromination of 3-quinolinecarboxylic acid using N-bromosuccinimide (NBS) in anhydrous conditions. The reaction is usually carried out under light or UV irradiation, and the product can be isolated by recrystallization from a suitable solvent.

What industries use 6-Bromo-3-quinolinecarboxylic acid (CAS: 798545-30-9)?

6-Bromo-3-quinolinecarboxylic acid is used in the pharmaceutical and chemical industries for the synthesis of various drugs and intermediates. It also finds applications in the production of dyes, pigments, and as a precursor in the development of new materials such as polymers and sensors.

What precautions should be taken when handling 6-Bromo-3-quinolinecarboxylic acid (CAS: 798545-30-9)?

When handling 6-Bromo-3-quinolinecarboxylic acid, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work must be carried out in a fume hood to minimize inhalation of fumes. Spills should be cleaned up using appropriate methods, and the substance should be stored in a cool, dry place away from moisture and heat sources. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.