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5-Bromo-benzo[d]isothiazole is a chemical compound with the molecular formula C7H4BrNS, belonging to the class of benzoisothiazole compounds. It is characterized by a bromine group attached to the benzene ring, which imparts unique properties and reactivity to the molecule. 5-Bromo-benzo[d]isothiazole is recognized for its potential pharmacological activities and serves as a versatile building block in the synthesis of various biologically active molecules and pharmaceuticals.

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  • 139037-01-7 Structure
  • Basic information

    1. Product Name: 5-Bromo-benzo[d]isothiazole
    2. Synonyms: 5-Bromo-benzo[d]isothiazole;5-Bromo-1,2-benzisothiazole
    3. CAS NO:139037-01-7
    4. Molecular Formula: C7H4BrNS
    5. Molecular Weight: 214
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 139037-01-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 212.4±22.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.748±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 3?+-.0.33(Predicted)
    10. CAS DataBase Reference: 5-Bromo-benzo[d]isothiazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Bromo-benzo[d]isothiazole(139037-01-7)
    12. EPA Substance Registry System: 5-Bromo-benzo[d]isothiazole(139037-01-7)
  • 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: 139037-01-7(Hazardous Substances Data)

139037-01-7 Usage

Uses

Used in Organic Synthesis:
5-Bromo-benzo[d]isothiazole is used as a versatile building block in organic synthesis for the preparation of a wide range of biologically active molecules. Its unique structure and reactivity make it a valuable component in the creation of new chemical entities with potential applications in various fields.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 5-Bromo-benzo[d]isothiazole is utilized as a precursor in the synthesis of antipsychotic and antitumor drugs. Its incorporation into these medications aids in the development of more effective treatments for mental health disorders and cancer, respectively.
Used in Drug Development:
5-Bromo-benzo[d]isothiazole is employed as a key intermediate in drug development, contributing to the discovery and synthesis of novel therapeutic agents. Its unique chemical properties allow for the design of innovative pharmaceuticals with improved efficacy and selectivity.
Used in Medicinal Chemistry Research:
5-Bromo-benzo[d]isothiazole serves as a valuable tool in medicinal chemistry research, where it is used to explore the structure-activity relationships of potential drug candidates. Its presence in various chemical libraries facilitates the identification of promising compounds with therapeutic potential.
Used in Chemical Modification of Bioactive Molecules:
5-Bromo-benzo[d]isothiazole is used for the chemical modification of bioactive molecules, enhancing their pharmacological properties and improving their therapeutic profiles. This modification can lead to the development of drugs with better safety, efficacy, and pharmacokinetic properties.

Check Digit Verification of cas no

The CAS Registry Mumber 139037-01-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,9,0,3 and 7 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 139037-01:
(8*1)+(7*3)+(6*9)+(5*0)+(4*3)+(3*7)+(2*0)+(1*1)=117
117 % 10 = 7
So 139037-01-7 is a valid CAS Registry Number.

139037-01-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-bromo-1,2-benzothiazole

1.2 Other means of identification

Product number -
Other names 1,2-Benzisothiazole,5-bromo

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:139037-01-7 SDS

139037-01-7Upstream product

139037-01-7Relevant articles and documents

Substituted phenylalkanoic acid derivatives and use thereof

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Page 159, (2008/06/13)

A compound represented by the formula (I) or a salt thereof: wherein n represents an integer of 1 to 3, R represents an alkyl group having 3 to 8 carbon atoms, a group represented by the following formula: R1(CH2)k— (wherein k represents 0 or an integer of 1 to 3; R1 represents a saturated cyclic alkyl group having 3 to 7 carbon atoms or a saturated condensed cyclic alkyl group having 6 to 8 carbon atoms, and the group R1 may be substituted with a lower alkyl group having 1 to 4 carbon atoms) and the like, and Ar represents a condensed bicyclic group such as naphthalen-1-yl group, which has suppressing action on prostaglandin and leukotriene production and is useful for prophylactic and/or therapeutic treatment of various inflammatory diseases and the like caused by these lipid mediators.

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