(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

Basic Information

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CAS Number

875446-29-0

Molecular Formula

C10H14BFO3

Molecular Weight

212.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

120-125°C

SMILES

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COC1=C(C=C(C(C)C)C(F)=C1)B(O)O

InChI

InChI=1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3

InChIKey

HMRRCUXJGOSJJA-UHFFFAOYSA-N

LogP

0.6375

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

201

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

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

Synonyms & References

English

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid
4-fluoro-5-isopropyl-2- methoxyphenylboronic acid
Anacetrapib intermediate-3
BORONIC ACID, B-[4-FLUORO-2-METHOXY-5-(1-METHYLETHYL)PHENYL]-
(4-fluoro-2-methoxy-5-propan-2-ylphenyl)boronic acid
4-fluoro-5-isopropyl-2-methoxyphenylboronic acid
[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid
Boronic acid, [4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]-
4-fluoro-5-isopropyl-2-methoxyphenylboronicacid
AMBA00082
HMRRCUXJGOSJJA-UHFFFAOYSA-N
BCP12755
PC52031
GS-
B-[4-Fluoro-2-methoxy-5-(1-methylethyl)phenyl]boronic acid (ACI)
Boronic acid, [4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]- (9CI)

MDL Number

MFCD16294183

Customs Code

2931900090

FAQ

What is (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid (CAS: 875446-29-0)?

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid is an organic compound with CAS number 875446-29-0. It is a boronic acid derivative with the molecular formula C12H18BF3O4. This compound is used in various applications due to its unique chemical structure.

What are the main uses of (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid (CAS: 875446-29-0)?

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid is primarily used in pharmaceuticals as a key intermediate in the synthesis of drugs. It also finds applications in organic chemistry, particularly in asymmetric synthesis and hydrogenation reactions.

Is (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid (CAS: 875446-29-0) safe?

When handled properly, (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid (CAS: 875446-29-0) is generally considered safe. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment and ensuring proper ventilation. Avoid contact with eyes, skin, and inhalation. Storage should be secure and away from heat sources.

How should (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid (CAS: 875446-29-0) be stored?

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid should be stored in a cool, dry place away from direct sunlight and heat sources. The storage container should be tightly sealed to prevent moisture and contamination. It is best to store this compound in a well-ventilated area to avoid the risk of fire or explosion due to spontaneous combustion. Ensure the storage area is properly labeled and accessible only to authorized personnel.