1,4-Dihydro-3H-isochromen-3-one

Basic Information

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CAS Number

4385-35-7

Molecular Formula

C9H8O2

Molecular Weight

148.16 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

Basic Physical Properties

Melting Point

82.0 to 84.0 deg-C

Boiling Point

130°C/1mmHg

Density

1.196

Flash Point

137.7 °C

Refractive Index

1.562

SMILES

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C1C2=CC=CC=C2COC1=O

InChI

InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2

InChIKey

ILHLUZUMRJQEAH-UHFFFAOYSA-N

LogP

1.2859

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

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

Synonyms & References

English

bmse000539
FT-0635258
SCHEMBL724064
3-Isochromanone
3,6-Dihydro-4,5-benzo-2-pyrone
4385-35-7
ILHLUZUMRJQEAH-UHFFFAOYSA-
2-Hydroxymethylphenylacetic acid lactone
SY036247
isochroman-3-one
1,4-Dihydro-3H-2-benzopyran-3-one
CHEMBL447815
InChI=1/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
3H-2-Benzopyran-3-one,4-dihydro-
1,4-dihydro-3H-isochromene-3-one
BCP25778
MFCD00043005
NSC 160530
CS-W016337
Z1255486033
AKOS004907726
A826436
NS00031370
EN300-103986
DTXSID00195960
1,4-dihydroisochromen-3-one
NSC-160530
3,4-dihydro-1H-2-benzopyran-3-one
C07728
SBB068599
3-lsochroManone

MDL Number

MFCD00043005

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7)?

1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7) is a crystalline solid with a molecular weight of approximately 132.13 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable and reacts primarily via its carbonyl group. It is used as an intermediate in the synthesis of other compounds and has limited reactivity under standard conditions.

How is 1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7) typically synthesized?

1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7) is typically synthesized via the condensation of acetophenone with a suitable base and dehydration under basic conditions. Common catalysts include sodium hydride or potassium tert-butoxide, and the reaction yields a high purity product with good selectivity and yield. This compound is often used in the synthesis of other heterocyclic compounds.

What industries use 1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7)?

1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7) is used in various industries, particularly in the pharmaceutical sector for the synthesis of drugs with specific pharmacological activities. It is also used in the polymer industry as a monomer and in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7)?

When handling 1,4-Dihydro-3H-isochromen-3-one (CAS: 4385-35-7), it is important to wear appropriate personal protective equipment (PPE) such as lab coats, gloves, and safety goggles. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, and the material safety data sheet (MSDS) should be consulted for specific instructions. In case of contact with skin or eyes, rinse immediately with copious amounts of water and seek medical advice if necessary.