3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide

Basic Information

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CAS Number

26638-53-9

Molecular Formula

C14H10ClNO3S

Molecular Weight

307.76 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

Boiling Point

494.6°C at 760 mmHg

SMILES

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CN1C2=CC=CC=C2C(=O)C3=C(S1(=O)=O)C=C(C=C3)Cl

InChI

InChI=1S/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3

InChIKey

RGOFXWXKWORKIP-UHFFFAOYSA-N

LogP

2.7095000000000002

Topological Polar Surface Area

54.45 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

501

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

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

3-CHLORO-6-METHYL-DIBENZO[C,F][1,2]THIAZEPIN-11(6H)-ONE 5,5-DIOXIDE
3-Chloro-6 pound not11-dihydro-6-methyl-5 pound not5 pound not11-trioxodibenzo[c pound notf][1 pound not2]thiazepine
3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-Dioxide
MFCD07368146
UNII-3S1W61H5ZK
DTXSID40949469
SY030958
AM20040055
FT-0651577
26638-53-9
Q-100334
3-Chloro-6-methyl-dibenzo(c,f)(1,2)thiazepin-11(6H)-one 5,5-dioxide
3-chloro-6-methyl-5,5-dioxobenzo[c][2,1]benzothiazepin-11-one
3-Chloro-6-methyl-dibenzo[c,f][1,2]thiazepin-11(6H)-one5,5-dioxide
3-Chloro-6,11,-dihydro-6-methyl,5,511-trioxodibenzo[c,f][1,2]thiazepine
3S1W61H5ZK
A818540
DIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-ONE, 3-CHLORO-6-METHYL-, 5,5-DIOXIDE
EINECS 247-865-2
CS-0144521
3-CHLORO-6-METHYLDIBENZO(C,F)(1,2)THIAZEPIN-11(6H)-ONE S,S-DIOXIDE
3-chloro-6-methyl-5,5-dioxo-benzo[c][2,1]benzothiazepin-11-one;3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo[c,f][1,2]thiazepine
SCHEMBL4258034
NS00051067
TIANEPTINE SODIUM IMPURITY C [EP IMPURITY]
3-Chloro-6,11-dihydro-6-methyl-5,5,11-trioxodibenzo(c,f)(1,2)thiazepine
3-CHLORO-6,11-DIHYDRO-6-METHYL-5,5,11-TRIOXODIBENZO[C,F][1,2]THIAZEPINE
8-chloro-10-dioxo-11-methyl-dibenzo[c,f][1,2]thiazepine-5-one
DS-10535
C14H10ClNO3S
AC-231

MDL Number

MFCD07368146

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9)?

3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9) is a crystalline solid with a molecular weight of approximately 441.03 g/mol. It has limited water solubility and good solubility in organic solvents such as dichloromethane and acetone. This compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions.

How is 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9) typically synthesized?

3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide can be synthesized through a multistep process involving the condensation of a chloroacenethiazole and a methylated dibenzo compound. The reaction typically requires the use of a Lewis acid catalyst, such as aluminum chloride, and the synthesis involves the formation of an intermediate thiazepine ring followed by oxidation to the dioxide form.

What industries use 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9)?

3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9) is primarily used in the pharmaceutical industry for its potential as a bioactive compound. It may also be used in the development of certain materials such as polymers and sensors due to its structural complexity and chemical versatility.

What precautions should be taken when handling 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9)?

When handling 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure that all handling occurs in a well-ventilated area or fume hood. In case of a spill, immediately neutralize the area and follow the manufacturer's safety data sheet (SDS) for appropriate disposal and cleanup procedures.

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3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide | CAS No. 26638-53-9

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9)?

How is 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9) typically synthesized?

What industries use 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9)?

What precautions should be taken when handling 3-Chloro-6-methyldibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide (CAS: 26638-53-9)?

Related Compounds

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