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2,1,3-Benzothiadiazole-5-carbonyl chloride is an organic compound with the molecular formula C8H4ClNOS. It is a chemical intermediate that plays a significant role in the synthesis of various pharmaceutical compounds. Its structure features a benzothiadiazole core with a carbonyl chloride group attached to the 5th position, which allows for further chemical reactions and modifications.

321309-31-3

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321309-31-3 Usage

Uses

Used in Pharmaceutical Industry:
2,1,3-Benzothiadiazole-5-carbonyl chloride is used as a reactant for the preparation of phthalazinones, which are known as PARP inhibitors. These inhibitors are crucial in the treatment of cancer that is deficient in the homologous recombination (HR) dependent DNA double-strand break (DSB) repair pathway. By targeting and inhibiting PARP enzymes, phthalazinones can disrupt the cancer cell's DNA repair mechanism, leading to cell death and potentially offering a therapeutic advantage in cancer treatment.

Check Digit Verification of cas no

The CAS Registry Mumber 321309-31-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,2,1,3,0 and 9 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 321309-31:
(8*3)+(7*2)+(6*1)+(5*3)+(4*0)+(3*9)+(2*3)+(1*1)=93
93 % 10 = 3
So 321309-31-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H3ClN2OS/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H

321309-31-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,1,3-BENZOTHIADIAZOLE-5-CARBONYL CHLORIDE

1.2 Other means of identification

Product number -
Other names benzo[c][1,2,5]thiadiazole-5-carbonyl chloride

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:321309-31-3 SDS

321309-31-3Downstream Products

321309-31-3Relevant academic research and scientific papers

Substitution Effect on 2-(Oxazolinyl)-phenols and 1,2,5-Chalcogenadiazole -Annulated Derivatives: Emission-Color-Tunable, Minimalistic Excited-State Intramolecular Proton Transfer (ESIPT)-Based Luminophores

G?bel, Dominik,Rusch, Pascal,Duvinage, Daniel,Stauch, Tim,Bigall, Nadja-C.,Nachtsheim, Boris J.

, p. 14333 - 14355 (2021/10/20)

Minimalistic 2-(oxazolinyl)-phenols substituted with different electron-donating and -withdrawing groups as well as 1,2,5-chalcogenadiazole-annulated derivatives thereof were synthesized and investigated in regard to their emission behavior in solution as well as in the solid state. Depending on the nature of the incorporated substituent and its position, emission efficiencies were increased or diminished, resulting in AIE or ACQ characteristics. Single-crystal analysis revealed J- and H-type packing motifs and a so-far undescribed isolation of ESIPT-based fluorophores in the keto form.

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