3-Phenyl-1(3H)-isobenzofuranone

3-Phenyl-1(3H)-isobenzofuranone - Names and Identifiers

Name	3-Phenyl-1(3H)-isobenzofuranone
Synonyms	AURORA KA-7267 3-phenyl-phthalid 3-PHENYLPHTHALIDE 3-Phenylphthalide TIMTEC-BB SBB008407 3-phenyl-1(3h)-isobenzofuranon 3-Phenyl-1(3H)-isobenzofuranone 3-Phenylisobenzofuran-1(3H)-one 3-PHENYL-1(3H)-ISOBENZOFURANONE 3-phenyl-2-benzofuran-1(3H)-one (3R)-3-phenyl-2-benzofuran-1(3H)-one (3S)-3-phenyl-2-benzofuran-1(3H)-one
CAS	5398-11-8
EINECS	226-426-9
InChI	InChI=1/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H/t13-/m1/s1
InChIKey	SQFMIHCARVMICF-UHFFFAOYSA-N

3-Phenyl-1(3H)-isobenzofuranone - Physico-chemical Properties

Molecular Formula	C14H10O2
Molar Mass	210.23
Density	1.234±0.06 g/cm3(Predicted)
Melting Point	120-122°C
Boling Point	368.9±41.0 °C(Predicted)
Flash Point	154.5°C
Vapor Presure	1.23E-05mmHg at 25°C
Appearance	powder to crystal
Color	White to Almost white
BRN	159678
Storage Condition	2-8℃
Refractive Index	1.622
MDL	MFCD00023099

3-Phenyl-1(3H)-isobenzofuranone - Risk and Safety

Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
RTECS	TI3800000

3-Phenyl-1(3H)-isobenzofuranone - Introduction

3-Phenyl-1(3H)-isobenzofuranone is an organic compound containing a phenyl group and a benzofuran ring. Its chemical formula is C14H10O2.

Nature:
-Appearance: 3-Phenyl-1(3H)-isobenzofuranone is a white crystalline solid.
-Melting point: Its melting point is 130-133 degrees Celsius.
-Solubility: It has high solubility in common organic solvents.

Use:
-Chemical synthesis: 3-Phenyl-1(3H)-isobenzofuranone can be used as an intermediate in chemical synthesis and can be used to synthesize a variety of organic compounds, such as drugs and dyes.
-Fluorescent dye: It is widely used in dye labeling and fluorescent labeling in the field of biology.
-Optical substance: It can also be used in the field of photonics as a photosensitizer and optical material.

Preparation Method:
The preparation of 3-Phenyl-1(3H)-isobenzofuranone can be carried out by the following steps:
-2-Bromobenzoic acid reacts with phenol to produce 2-phenylbenzoic acid.
-Esterification of 2-phenylbenzoic acid using potassium carbonate or sodium carbonate to produce an esterified compound corresponding to the phenol group.
-Use potassium hydroxide or sodium hydroxide to alcoholize at high temperature to convert the ester into 3-Phenyl-1(3H)-isobenzofuranone.

Safety Information:
The toxicity of 3-Phenyl-1(3H)-isobenzofuranone is low, but the normal handling and safe operation of chemicals should still be followed. During use, appropriate personal protective equipment, such as gloves and glasses, should be worn to avoid contact with skin and eyes. If contact occurs, rinse immediately with plenty of water and seek medical treatment. During storage and handling, it should be kept in a sealed container, away from ignition sources and other flammable substances.

Last Update：2024-04-09 02:00:46