4-(Dihydroxyboryl)-2-fluorobenzoic acid

Basic Information

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CAS Number

120153-08-4

Molecular Formula

C7H6BFO4

Molecular Weight

183.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

229-240°C

Water Solubility

Soluble in water.

SMILES

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

InChI

InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)

InChIKey

CZDWJVSOQOMYGC-UHFFFAOYSA-N

LogP

-0.7963000000000002

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

199

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

Hazard Class

Class IRRITANT Class IRRITANT

Class KEEP COLD Class KEEP COLD

Synonyms & References

English

4-Carboxy-3-fluorophenylboronicacid
3-Fluoro-4-carboxy-phenylboronic acid
120153-08-4
FT-0642935
EN300-322647
MFCD01114671
PS-9412
4-borono-2-fluorobenzoicacid
AKOS004119213
A2510
J-514869
(4-carboxy-3-fluorophenyl)boronic acid
BENZOIC ACID, 4-BORONO-2-FLUORO-
DTXSID90376807
AB08322
UNII-MT2PH75ZYW
4-Carboxy-3-fluorophenylboronic acid, AldrichCPR
SY018035
4-borono-2-fluorobenzoic acid
4-(dihydroxyboranyl)-2-fluorobenzoic acid
CZDWJVSOQOMYGC-UHFFFAOYSA-N
SCHEMBL362047
CS-W000863
AM803029
Z1171974293
4-Carboxy-3-fluorophenylboronic acid
MT2PH75ZYW
4-carboxy-3-fluorobenzeneboronic acid
4-(Dihydroxyboryl)-2-fluorobenzoic acid
4-Borono-2-fluorobenzoic acid
3-Carboxy-4-fluorophenylboronic acid

MDL Number

MFCD01114671

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4)?

4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4) is a white crystalline solid with a molecular weight of approximately 259.07 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it exhibits acid properties and can undergo typical reactions such as esterification and nucleophilic substitution. It is stable under normal conditions but reacts with strong bases to form the corresponding sodium salt.

How is 4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4) typically synthesized?

4-(Dihydroxyboryl)-2-fluorobenzoic acid can be synthesized by the reaction of 2-fluorobenzoic acid with dihydroxyborane in the presence of a suitable catalyst, typically a Lewis acid like boron trifluoride etherate. The reaction provides high yield and good selectivity, with the final product isolated by filtration and recrystallization.

What industries use 4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4)?

4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4) is primarily used in pharmaceuticals and research chemistry due to its structural complexity and reactivity. It can also be used in polymer synthesis and as a sensor component, although its specific applications in these areas are limited.

What precautions should be taken when handling 4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4)?

When handling 4-(Dihydroxyboryl)-2-fluorobenzoic acid (CAS: 120153-08-4), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or fume hood to avoid inhalation or skin contact. Spills should be immediately cleaned up with a suitable absorbent material, followed by thorough washing of the affected area. Refer to the Safety Data Sheet (SDS) for specific guidelines and emergency procedures.