3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one

Basic Information

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CAS Number

596-01-0

Molecular Formula

C28H18O4

Molecular Weight

418.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

238-240 °C

Boiling Point

496.21°C (rough estimate)

Water Solubility

Soluble in ethanol. Insoluble in water.

Solubility

Solubility Practically insoluble in water; soluble in ethanol

Refractive Index

1.6400 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O

InChI

InChI=1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H

InChIKey

HQHBAGKIEAOSNM-UHFFFAOYSA-N

LogP

5.866500000000006

pKa

8.0, 8.2, 8.5(at 25℃)

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

668

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

Synonyms & References

English

Q413919
3,3-Bis(4-hydroxy-1-naphthyl)phthalide
alpha-Naphtholphthalein, practical grade
2QEG1706NN
3,3-bis(4-hydroxynaphthalen-1-yl)-1,3-dihydro-2-benzofuran-1-one
AMY37396
3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
NS00034196
.alpha. Naphtholphthalein
D91631
SCHEMBL63922
a-Naphtolphtalein
3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one #
3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one
UNII-2QEG1706NN
.ALPHA.-NAPHTHOLPHTHALEIN [MI]
N0062
DTXSID70208273
1-Naphtholphthalein
alpha-Naphtholphthalein
CS-0128741
BS-43770
MFCD00036202
FT-0632479
A832379
N0031
SY057353
3,3-Bis(4-hydroxynaphthalenyl)-1(3H)-isobenzofuranone
naphtholphthalein blue
EINECS 209-875-5
1,1'-NAPHTHOL-4,4'-PHTHALEIN

MDL Number

MFCD00036202

Customs Code

32041900

FAQ

What are the physical and chemical properties of 3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one (CAS: 596-01-0)?

3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one is a crystalline compound with a high molecular weight and low solubility in common organic solvents. It exhibits moderate reactivity, particularly in condensation reactions and photochemical processes. This compound is often used in organic synthesis and has a CAS number of 596-01-0.

How is 3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one (CAS: 596-01-0) typically synthesized?

3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one can be synthesized via condensation reactions, often using amines as catalysts. The reaction typically shows good selectivity and yields up to 85%, with a CAS number of 596-01-0.

What industries use 3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one (CAS: 596-01-0)?

3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one is used in pharmaceuticals for its biological activity, in sensor technology for its fluorescence properties, and in semiconductor applications for its electronic properties. It has a CAS number of 596-01-0 and is a valuable compound in these industries.

What precautions should be taken when handling 3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one (CAS: 596-01-0)?

When handling 3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one (CAS: 596-01-0), wear appropriate personal protective equipment such as gloves, goggles, and laboratory coat. Store in a cool, well-ventilated area, away from sources of heat and ignition. In case of spill, use appropriate spill cleanup procedures as outlined in the Safety Data Sheet (SDS).