3,4-Dihydro-1H-isochromene

Basic Information

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CAS Number

493-05-0

Molecular Formula

C9H10O

Molecular Weight

134.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Melting Point

4.35°C

Boiling Point

110°C/25mmHg

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.545(lit.)

SMILES

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C1COCC2=CC=CC=C21

InChI

InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2

InChIKey

HEBMCVBCEDMUOF-UHFFFAOYSA-N

LogP

1.7593

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

111

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

SY018228
SCHEMBL8262
CHEBI:33225
AM85788
Isochroman, 99%
1H-2-Benzopyran, 3,4-dihydro-
PS-4588
3,4-dihydro-1H-2-benzopyran
FT-0614301
NS00031888
3,4-Dihydro-1H-2-benzopyran; isochromane
Isochromane
MFCD00006913
1H-2-Benzopyran,4-dihydro-
UNII-2CA7RAZ2PM
AC-5320
Q27115605
3,4-Dihydro-1H-isochromene
1,2,3,4-TETRAHYDROBENZO(C)PYRAN
Z756090080
A871817
InChI=1/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H
AKOS009157107
3,4-Dihydro-1H-2-benzopyrane
NSC 63362
CS-W002017
3,4-Dihydro-1H-isochromene #
NSC-63362
NSC63362
I0514
DTXSID50197757

MDL Number

MFCD00006913

Customs Code

2932999099

FAQ

What is 3,4-Dihydro-1H-isochromene (CAS: 493-05-0)?

3,4-Dihydro-1H-isochromene (CAS: 493-05-0) is a heterocyclic compound with a five-membered ring containing nitrogen. It is characterized by its unique structure, which includes a chromene ring with two adjacent double bonds. This compound is used in various applications, including pharmaceuticals and organic synthesis.

What are the main uses of 3,4-Dihydro-1H-isochromene (CAS: 493-05-0)?

3,4-Dihydro-1H-isochromene (CAS: 493-05-0) is primarily used in pharmaceuticals as an intermediate for the synthesis of bioactive compounds. It also serves as a building block in organic synthesis, particularly in the development of heterocyclic derivatives.

Is 3,4-Dihydro-1H-isochromene (CAS: 493-05-0) safe?

3,4-Dihydro-1H-isochromene (CAS: 493-05-0) is generally safe when handled with proper precautions. Users should wear appropriate personal protective equipment, such as gloves and goggles, and ensure good ventilation. Spills should be cleaned up promptly, and the compound should be stored away from direct sunlight and heat sources.

How should 3,4-Dihydro-1H-isochromene (CAS: 493-05-0) be stored?

3,4-Dihydro-1H-isochromene (CAS: 493-05-0) should be stored in a cool, dry place away from direct sunlight and heat sources to maintain its stability. It should be kept in a properly sealed container to prevent degradation. Ensure good ventilation and store away from incompatible substances such as oxidizers.