2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Basic Information

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CAS Number

629658-06-6

Molecular Formula

C12H16BClO3

Molecular Weight

254.52 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

Boiling Point

350.8℃/760mmHg

SMILES

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CC1(C)OB(OC1(C)C)c2ccc(O)c(Cl)c2

InChI

InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7,15H,1-4H3

InChIKey

HBKJZGOCTNRSHF-UHFFFAOYSA-N

LogP

2.3448

Topological Polar Surface Area

38.69 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
3-CHLORO-4-HYDROXYBENZENEBORONIC ACID, PINACOL ESTER
3-Chloro-4-hydroxyphenylboronic acid, pinacol ester
Phenol, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

MDL Number

MFCD09260490

Customs Code

2934999090

FAQ

What is 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 629658-06-6)?

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is an organic compound with the CAS number 629658-06-6. It is a phenolic compound containing a chloro group and a tetramethyl-1,3,2-dioxaborolane moiety. This compound is typically used in organic synthesis, particularly in the preparation of boronic acids and esters.

What are the main uses of 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 629658-06-6)?

The main uses of 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol include its application in organic synthesis, especially in the generation of boronic acids for Suzuki coupling reactions. It is also utilized in pharmaceuticals and materials science for the synthesis of various organic compounds.

Is 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 629658-06-6) safe?

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is generally considered safe when handled with appropriate precautions. However, it should be stored away from heat and ignition sources. Protective equipment, such as gloves and goggles, should be used to prevent skin and eye contact. Inhalation and ingestion are also potential risks, so proper ventilation is essential.

How should 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS: 629658-06-6) be stored?

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated, and it should be stored separately from incompatible materials such as oxidizing agents and acidic compounds. Avoid contact with open flames and sparks.