4-Isoquinolinylboronic acid hydrochloride (1:1)

Basic Information

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CAS Number

677702-23-7

Molecular Formula

C9H9BClNO2

Molecular Weight

209.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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B(C1=CN=CC2=CC=CC=C12)(O)O.Cl

InChI

InChI=1S/C9H8BNO2.ClH/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9;/h1-6,12-13H;1H

InChIKey

KVBIOGMRHMKPFZ-UHFFFAOYSA-N

LogP

0.33639999999999987

Topological Polar Surface Area

53.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

177

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

ISOQUINOLINE-4-BORONIC ACID HCl
FT-0752204
Isoquinolin-4-ylboronic acid hydrochloride
AMY29968
SY113322
Isoquinoline-4-boronicacidhydrochloride
Isoquinolin-4-ylboronic acid--hydrogen chloride (1/1)
BCP29208
isoquinolin-4-ylboronic acid;hydrochloride
SCHEMBL951403
CS-W003978
Isoquinolin-4-ylboronic acid, HCl
AB22278
AS-17967
AC-28131
4-Isoquinolineboronic acid hydrochloride
677702-23-7
Isoquinolin-4-ylboronic acid, HCl;Boronic acid, 4-isoquinolinyl-, hydrochloride
CS1230
MFCD05664061
Boronic acid, 4-isoquinolinyl-, hydrochloride
DTXSID50648597
ISOQUINOLINE-4-BORONIC ACID HYDROCHLORIDE
AKOS025402008
isoquinolin-4-ylboronic acid,hydrochloride

MDL Number

MFCD05664061

Customs Code

2933499090

FAQ

What is 4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7)?

4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7) is a chemical compound with the molecular formula C11H11BN2O2.HCl. It is a white crystalline powder with a characteristic odor and is commonly used in synthetic chemistry and drug discovery.

What are the main uses of 4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7)?

4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7) is primarily used in the synthesis of various pharmaceuticals and organic compounds. It serves as a key intermediate in the development of new drugs and is also utilized in academic research for organoboron chemistry.

Is 4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7) safe?

4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7) is generally safe when handled with appropriate precautions. Users should avoid contact with eyes and skin and wear gloves and goggles. Proper ventilation is also recommended to prevent inhalation of dust and fumes.

How should 4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7) be stored?

4-Isoquinolinylboronic acid hydrochloride (CAS: 677702-23-7) should be stored in a cool, dry place, away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C to maintain its stability.