3-Phenoxybenzoic Acid

Basic Information

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CAS Number

3739-38-6

Molecular Formula

C13H10O3

Molecular Weight

214.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

147-149 °C

Boiling Point

314.35°C (rough estimate)

Water Solubility

It is soluble in water.

Flash Point

145.7 °C

Refractive Index

1.5090 (estimate)

SMILES

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C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)

InChIKey

NXTDJHZGHOFSQG-UHFFFAOYSA-N

LogP

3.177100000000001

pKa

3.95(at 25℃)

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

233

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

HY-W014225
M-PHENOXYBENZOIC ACID FOR CIS-ISOMER
Benzoic acid, 3-phenoxy-
69DC2655VH
3-PBA
SR-01000197248
3-Phenoxybenzoic acid, PESTANAL(R), analytical standard
AE-641/02381052
3-Phenoxybenzoic acid
CHEMBL663
DTXCID9018321
P1253
UNII-69DC2655VH
EN300-16783
W-106541
CAS-3739-38-6
AC-10910
AMY28526
HMS1395B22
3-phenoxy benzoic acid
Enamine_000396
TS-03060
Tox21_300610
CS-W014941
F14689
NS00000279
m-phenoxy benzoic acid
3-PBAc
s3597
SY045836
DTXSID1038321

MDL Number

MFCD00002498

Customs Code

29189090

FAQ

What are the physical and chemical properties of 3-Phenoxybenzoic Acid (CAS: 3739-38-6)?

3-Phenoxybenzoic Acid (CAS: 3739-38-6) is a solid with a crystalline form. It has a molecular weight of approximately 182.19 g/mol. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is moderately reactive towards strong acids and bases. Its melting point is around 220-222°C.

How is 3-Phenoxybenzoic Acid (CAS: 3739-38-6) typically synthesized?

3-Phenoxybenzoic Acid can be synthesized through the esterification of phenoxybenzoic acid ethyl ester with a strong base like sodium hydroxide. The reaction yields a mixture which can be purified through recrystallization. The reaction is selective and provides a yield of about 80-90%.

What industries use 3-Phenoxybenzoic Acid (CAS: 3739-38-6)?

3-Phenoxybenzoic Acid (CAS: 3739-38-6) is used in the pharmaceutical industry as an intermediate for drug synthesis. It also has applications in the polymer industry, where it serves as a stabilizer. Additionally, it is utilized in the production of sensors and semiconductors due to its chemical reactivity.

What precautions should be taken when handling 3-Phenoxybenzoic Acid (CAS: 3739-38-6)?

When handling 3-Phenoxybenzoic Acid (CAS: 3739-38-6), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from heat and open flames. In case of a spill, it should be cleaned up with appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.