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6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one is a complex organofluorine compound that features a benzothiopyran structure. This chemical compound is characterized by the fusion of a benzene ring with thiopyran, which contributes to its potential biological activity. As a member of the organofluorine family, it is known for the unique properties conferred by the presence of fluorine atoms, which can significantly influence its reactivity and behavior in various chemical contexts. The exploration of its specific characteristics and applications requires further scientific investigation and experimentation.

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  • 1097802-78-2 Structure
  • Basic information

    1. Product Name: 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one
    2. Synonyms: 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one
    3. CAS NO:1097802-78-2
    4. Molecular Formula: C9H6F2OS
    5. Molecular Weight: 200.2051464
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1097802-78-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 315.1 °C at 760 mmHg
    3. Flash Point: 144.4 °C
    4. Appearance: /
    5. Density: 1.423
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one(1097802-78-2)
    11. EPA Substance Registry System: 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one(1097802-78-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1097802-78-2(Hazardous Substances Data)

1097802-78-2 Usage

Uses

Used in Medicinal Chemistry:
6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one is utilized as a key intermediate in the synthesis of pharmaceutical compounds due to its potential biological activity. The presence of fluorine atoms and the benzothiopyran structure may contribute to its interaction with biological targets, making it a valuable component in the development of new drugs.
Used in Chemical Research:
6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one serves as a subject of study in chemical research, where its reactivity, properties, and potential applications are explored. The organofluorine nature and the fused ring system of 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one make it an interesting candidate for understanding the effects of fluorination on molecular behavior and reactivity.
Used in Drug Design:
6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one is employed as a building block in drug design, where its structural features can be exploited to create novel molecules with desired pharmacological properties. The incorporation of this compound into drug candidates may lead to the development of more effective therapeutic agents.
Used in Material Science:
In the field of material science, 6,7-Difluoro-2,3-dihydro-4H-1-benzothiopyran-4-one may be investigated for its potential use in the development of new materials with unique properties. The organofluorine compounds are known for their stability and the possibility of tailoring their properties through molecular design, which could be applied in various material applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1097802-78-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,9,7,8,0 and 2 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1097802-78:
(9*1)+(8*0)+(7*9)+(6*7)+(5*8)+(4*0)+(3*2)+(2*7)+(1*8)=182
182 % 10 = 2
So 1097802-78-2 is a valid CAS Registry Number.

1097802-78-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 6,7-Difluoro-2,3-dihydro-4H-thiochromen-4-one

1.2 Other means of identification

Product number -
Other names 6,7-difluoro-3,4-dihydro-2H-1-benzothiopyran-4-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1097802-78-2 SDS

1097802-78-2Downstream Products

1097802-78-2Relevant articles and documents

SUBSTITUTED SULFONE-CONTAINING TRICYCLIC COMPOUNDS AND USES THEREOF

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Page/Page column 30, (2014/05/24)

The present invention relates to substituted sulfone-containing tricyclic compounds and analogues thereof which inhibit Bak-mediated apoptosis. The invention further relates to pharmaceutical compositions comprising a compound of the present invention and to methods of inhibiting a Bak-mediated apoptotic pathway and Bak-mediated apoptosis in a cell.

Synthesis and antitumor activities of a new series of 4,5-dihydro-1H- thiochromeno[4,3-d]pyrimidine derivatives

Guo, Dexiang,Liu, Yajing,Li, Ting,Wang, Nan,Zhai, Xin,Hu, Chun,Gong, Ping

, p. 347 - 351 (2012/08/08)

A new series of 4,5-dihydro-1H-thiochromeno[4,3-d ]pyrimidine derivatives have been designed and synthesized. The antitumor activities of the target compounds have been evaluated in vitro against two human cancer cell lines including A549 (human alveolar adenocarcinoma cell) and H460 (human lung cancer) by MTT assay. Most of the target compounds exhibited significant antitumor activities against A549 and H460 cancer cell lines. The most potent compound 4-(benzo[d][1,3]dioxol-5-yl)-8,9-difluoro-2-(4-methylpiperazin-1-yl)-4, 5-dihydro-1H-thiochromeno[4,3-d]pyrimidine (CH05) (IC50 = 0.44 μM, 3.07 μM) was 2.0 and 8.4 times more active than gefitinib (IC50 = 0.89 μM, 16.81 μM) against A549 and H460 cell lines, respectively.

Synthesis and biochemical evaluation of thiochromanone thiosemicarbazone analogues as inhibitors of cathepsin L

Song, Jiangli,Jones, Lindsay M.,Kumar, G. D. Kishore,Conner, Elizabeth S.,Bayeh, Liela,Chavarria, Gustavo E.,Charlton-Sevcik, Amanda K.,Chen, Shen-En,Chaplin, David J.,Trawick, Mary Lynn,Pinney, Kevin G.

, p. 450 - 453 (2012/09/25)

A series of 36 thiosemicarbazone analogues containing the thiochromanone molecular scaffold functionalized primarily at the C-6 position were prepared by chemical synthesis and evaluated as inhibitors of cathepsins L and B. The most promising inhibitors f

Dihydrobenzo(B)thiophenes and pharmaceutical compositions thereof useful as antifungals

-

, (2008/06/13)

2-Alkyl-, 2-alkenyl- and 2-alkynyl-2,3-dihydro-2-(1H-azolyl(C1 -C2)alkyl)benzo[b]thiophenes especially 2-alkyl-, 2-alkenyl- and 2-alkynyl-2,3-dihydro-3-hydroxy-2-(1H-1-imidazolylmethyl)-4-,5-,6- and 7-halobenzo[b]thiophenes and related derivatives having antifungal activity are disclosed. Pharmaceutical compositions comprising compounds of the invention and their use in treating fungal infections in susceptible hosts such as humans are also disclosed.

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