8-chlorodibenzo[b,f]thiepin-10(11H)-one

Basic Information

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CAS Number

1469-28-9

Molecular Formula

C14H9ClOS

Molecular Weight

260.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

125-126 ºC (ethanol )

Solubility

Insuluble (6.3E-4 g/L) (25 ºC),

SMILES

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C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl

InChI

InChI=1S/C14H9ClOS/c15-10-5-6-14-11(8-10)12(16)7-9-3-1-2-4-13(9)17-14/h1-6,8H,7H2

InChIKey

RFEQOXYRLRIDPF-UHFFFAOYSA-N

LogP

4.230000000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

307

Synonyms & References

English

8-Chlorodibenzo[b,f]thiepin-10(11H)-one
3-chloro-6H-benzo[b][1]benzothiepin-5-one
8-Chlor-10,11-dihydro-dibenz< b,f> -thiepin-
8-Chlor-11H-dibenzo< b,f> thiepin-10-on
8-Chlor-dibenzo< b,f> thiepin-10(11H)-on
8-chloro-10,11-dihydro-5H-dibenzo [b,f]thiepin-10-one
8-Chloro-10,11-dihydrodibenzo< b.f> thiepin-10-one
8-chloro-11H-dibenzo[b,f]thiepin-10-one
AC1LGU7M
AE-641
HMS2291P05
SureCN5362218
8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-2-one
8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-one
Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro-
SMR000162794
DTXSID60356611
CHEMBL1550431
8-chlorodibenzo[b,f]thiepin-10(11H)-one
E77944
8-Chlorodibenzo[b,f]thiepin-10(11H)-one; 2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-11-one; 8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-one; 8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-2-one;
MLS000543621
BAA46928
2-Chloro-dibenzo[b,f][1,4]thiepin-11(10H)-one
A854876
AKOS022172208
6-CHLORO-2-THIATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7,12,14-HEXAEN-9-ONE
8-chloro-10,11-dihydro-5H-dibenzo[b,f]thiepin-10-one
SCHEMBL5362218
BS-49865
EN300-7353427

MDL Number

MFCD01411917

FAQ

What is 8-chlorodibenzo[b,f]thiepin-10(11H)-one (CAS: 1469-28-9)?

8-Chlorodibenzo[b,f]thiepin-10(11H)-one is a heterocyclic compound with a unique molecular structure. This compound contains a thiepine ring fused to a dibenzo ring with a chlorine atom substituent. It is characterized by its aromaticity and chlorinated moiety, which contribute to its stability and reactivity. It is commonly used in pharmaceutical research for its potential as a ligand in metal complexes and as a receptor modulator.

What are the main uses of 8-chlorodibenzo[b,f]thiepin-10(11H)-one (CAS: 1469-28-9)?

8-Chlorodibenzo[b,f]thiepin-10(11H)-one is primarily used in pharmaceutical research. It serves as a ligand in metal complexes and as a receptor modulator, which can be useful in developing new drugs. Its potential applications also extend to materials science, particularly in the synthesis of novel materials with specific properties.

Is 8-chlorodibenzo[b,f]thiepin-10(11H)-one (CAS: 1469-28-9) safe?

8-Chlorodibenzo[b,f]thiepin-10(11H)-one (CAS: 1469-28-9) is considered safe when handled with proper precautions. It is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Ensure good ventilation and avoid contact with skin and eyes. It should be stored in a cool, dry place away from direct sunlight and other sources of ignition.

How should 8-chlorodibenzo[b,f]thiepin-10(11H)-one (CAS: 1469-28-9) be stored?

8-Chlorodibenzo[b,f]thiepin-10(11H)-one (CAS: 1469-28-9) should be stored in a cool, dry place with a temperature not exceeding 25°C and in the absence of direct sunlight. It should be kept in a tightly sealed container to prevent degradation from moisture and oxygen. Avoid storing it near incompatible materials and ensure the container is appropriately labeled for easy identification and handling safety.