Cyclohexylboronic acid

Basic Information

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CAS Number

4441-56-9

Molecular Formula

C6H13BO2

Molecular Weight

127.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

120°C

Boiling Point

252.4 °C at 760 mmHg

Density

Water Solubility

25 g/L

Flash Point

106.4 °C

Refractive Index

1.452

SMILES

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B(C1CCCCC1)(O)O

InChI

InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2

InChIKey

XDRVAZAFNWDVOE-UHFFFAOYSA-N

LogP

0.7935

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

79.1

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Sensitive to heat, sensitive to air

Synonyms & References

English

4441-56-9
XDRVAZAFNWDVOE-UHFFFAOYSA-N
C2188
SY008103
Cyclohexyl boronic acid
AC-9537
Z56789446
BCP9000567
Boronic acid, cyclohexyl- (9CI)
EN300-103018
F0001-1209
Cyclohexaneboronic acid
SCHEMBL127115
A7051
BRN 1921820
Cyclohexylboronic acid
GS-6574
AM20070527
AKOS001013988
Boronic acid, cyclohexyl-
FT-0601791
J-520170
MFCD01311824
DTXSID30196162
BCP22758
CS-W007574
4-16-00-01653 (Beilstein Handbook Reference)
Cyclohexylboronicacid
AB08478
Cyclohexylboronic Acid (contains varying amounts of Anhydride)
Cyclohexylboroni Acid

MDL Number

MFCD01311824

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Cyclohexylboronic acid (CAS: 4441-56-9)?

Cyclohexylboronic acid (CAS: 4441-56-9) is a white crystalline solid with a molecular weight of approximately 154.3 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is reactive towards carboxylic acids and can participate in organoboration reactions, making it useful in organic synthesis.

How is Cyclohexylboronic acid (CAS: 4441-56-9) typically synthesized?

Cyclohexylboronic acid is commonly synthesized via the coupling of cyclohexylboronic ester with sodium borohydride. This process involves the use of a suitable solvent and is characterized by good yield and selectivity. The reaction is typically conducted under mild conditions and in the presence of a catalytic amount of base.

What industries use Cyclohexylboronic acid (CAS: 4441-56-9)?

Cyclohexylboronic acid (CAS: 4441-56-9) finds application in various industries, including pharmaceuticals for the synthesis of drug intermediates, polymers for functionalization, and sensors for detecting specific chemical species. It is also used in semiconductor manufacturing for cleaning and etching processes.

What precautions should be taken when handling Cyclohexylboronic acid (CAS: 4441-56-9)?

When handling cyclohexylboronic acid (CAS: 4441-56-9), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. It should be stored in a fume hood to avoid inhalation. In case of spillage, it should be cleaned up using appropriate chemical waste disposal methods. The safety data sheet (SDS) should be consulted for detailed handling and disposal instructions.