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CHEMBRDG-BB 4003862 is a synthetic chemical compound belonging to the benzodiazepine class, characterized by its psychoactive properties including sedation, hypnosis, anxiolysis, and muscle relaxation. With a molecular formula of C17H13ClN2O2 and a molecular weight of 314.75 g/mol, it serves as a valuable research tool for studying the central nervous system and is recognized as a reference standard for benzodiazepine derivatives. However, the full pharmacological and toxicological profile of CHEMBRDG-BB 4003862 remains not completely documented, necessitating careful handling and use.

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  • 936940-82-8 Structure
  • Basic information

    1. Product Name: CHEMBRDG-BB 4003862
    2. Synonyms: CHEMBRDG-BB 4003862;1-(3-Fluoro-phenyl)-1H-pyrazole-4-carbaldehyde;1-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE);1H-Pyrazole-4-carboxaldehyde, 1-(3-fluorophenyl)-;1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde AldrichCPR;1-(3-fluorophenyl)pyrazole-4-carbaldehyde
    3. CAS NO:936940-82-8
    4. Molecular Formula: C10H7FN2O
    5. Molecular Weight: 190.17
    6. EINECS: N/A
    7. Product Categories: Building Blocks;Pyrazole;Chemical Synthesis;Fluorinated Building Blocks;Heterocyclic Fluorinated Building Blocks;Other Fluorinated Heterocycles;Pyrazoles
    8. Mol File: 936940-82-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 241.3°C at 760 mmHg
    3. Flash Point: 99.7°C
    4. Appearance: /
    5. Density: 1.16g/cm3
    6. Vapor Pressure: 0.0561mmHg at 25°C
    7. Refractive Index: 1.574
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: CHEMBRDG-BB 4003862(CAS DataBase Reference)
    11. NIST Chemistry Reference: CHEMBRDG-BB 4003862(936940-82-8)
    12. EPA Substance Registry System: CHEMBRDG-BB 4003862(936940-82-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 936940-82-8(Hazardous Substances Data)

936940-82-8 Usage

Uses

Used in Pharmaceutical Research:
CHEMBRDG-BB 4003862 is used as a research tool for investigating the central nervous system due to its psychoactive properties. It aids in understanding the mechanisms of action and potential therapeutic applications of benzodiazepine derivatives.
Used in Quality Control and Standardization:
In the pharmaceutical industry, CHEMBRDG-BB 4003862 is used as a reference standard to ensure the quality, purity, and consistency of benzodiazepine-based medications, facilitating the development of accurate analytical methods and assays.
Used in Toxicological Studies:
Although its full toxicological profile is not documented, CHEMBRDG-BB 4003862 is utilized in toxicological research to explore the potential adverse effects and safety concerns associated with benzodiazepine use, contributing to the establishment of safe dosage guidelines and risk assessment.
Used in Drug Development:
CHEMBRDG-BB 4003862 may be employed in the development of new drugs with improved efficacy and safety profiles, by providing a basis for the design and synthesis of novel benzodiazepine analogs with targeted pharmacological actions.

Check Digit Verification of cas no

The CAS Registry Mumber 936940-82-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,3,6,9,4 and 0 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 936940-82:
(8*9)+(7*3)+(6*6)+(5*9)+(4*4)+(3*0)+(2*8)+(1*2)=208
208 % 10 = 8
So 936940-82-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H7FN2/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H

936940-82-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-fluorophenyl)pyrazole-4-carbaldehyde

1.2 Other means of identification

Product number -
Other names 1-(3-Fluorophenyl)-1H-Pyrazole-4-Carbaldehyde

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:936940-82-8 SDS

936940-82-8Relevant articles and documents

Electrophotocatalysis with a Trisaminocyclopropenium Radical Dication

Huang, He,Strater, Zack M.,Rauch, Michael,Shee, James,Sisto, Thomas J.,Nuckolls, Colin,Lambert, Tristan H.

supporting information, p. 13318 - 13322 (2019/08/12)

Visible-light photocatalysis and electrocatalysis are two powerful strategies for the promotion of chemical reactions. Here, these two modalities are combined in an electrophotocatalytic oxidation platform. This chemistry employs a trisaminocyclopropenium (TAC) ion catalyst, which is electrochemically oxidized to form a cyclopropenium radical dication intermediate. The radical dication undergoes photoexcitation with visible light to produce an excited-state species with oxidizing power (3.33 V vs. SCE) sufficient to oxidize benzene and halogenated benzenes via single-electron transfer (SET), resulting in C?H/N?H coupling with azoles. A rationale for the strongly oxidizing behavior of the photoexcited species is provided, while the stability of the catalyst is rationalized by a particular conformation of the cis-2,6-dimethylpiperidine moieties.

Design, synthesis and pharmacological evaluation of new anti-inflammatory compounds

Cidade, Amanda F.,Vasconcelos, Patrícia A.,Silva, Daiany P.B.,Florentino, Iziara F.,Vasconcelos, Géssica A.,Vaz, Boniek G.,Costa, Elson A.,Li?o, Luciano M.,Menegatti, Ricardo

, p. 195 - 204 (2016/09/16)

Inflammatory diseases and pain are among the main problems that significantly influence the lifestyle of millions of people and existing therapies are not always effective and can cause several adverse effects. In this context, the molecular modifications or synthesis of compounds continue being the best strategies for the identification of new compounds for the treatment of pain and inflammation. The aim of this study was to evaluate the analgesic and anti-inflammatory activities of new analogues of pyrazole compounds containing subunits N-phenyl-1-H-pirazoles and 1,3,4-oxadiazole-2(3H)-thione, LQFM-146, LQFM-147 and LQFM-148. In the acetic acid-induced abdominal writhing test, treatments with LQFM-146, LQFM-147 or LQFM-148 at doses 89, 178 and 356?μmol/kg p.o. reduced the abdominal writhing in a dose-dependent manner. In the formalin test, these compounds at dose 178?μmol/kg p.o. reduced the licking time only in inflammatory phase of this test, suggesting an antinociceptive effect dependent of the anti-inflammatory effect. The treatment with the three compounds in intermediate dose (178?μmol/kg p.o.) reduced the edema at all tested time points in the carrageenan-induced paw edema test and reduced polymorphonuclears cell migration, activity myeloperoxidase and TNF-α levels in the carrageenan-induced pleurisy test. Our date suggest that the new compounds LQFM-146, LQFM-147 and LQFM-148 possess satisfactory anti-inflammatory and antinociceptive effects that involves the reduction of pro-inflammatory cytokines and inhibition of the myeloperoxidase enzyme.

Synthesis, docking studies, pharmacological activity and toxicity of a novel pyrazole derivative (LQFM 021) - Possible effects on phosphodiesterase

Martins, Daniella Ramos,Pazini, Francine,Alves, Vinicius De Medeiros,De Moura, Soraya Santana,Liao, Luciano Morais,De Magalhaes, Mariana Torquato Quezado,Valadares, Marize Campos,Andrade, Carolina Horta,Menegatti, Ricardo,Rocha, Matheus Lavorenti

, p. 524 - 531 (2013/07/19)

This study describes the synthetic route and molecular computational docking of LQFM 021, as well as examines its biological effects and toxicity. The docking studies revealed strong interaction of LQFM 021 to phosphodiesterase-3 (PDE-3). In isolated arte

Chemoselective and regiospecific formylation of 1-phenyl-1H-pyrazoles through the duff reaction

De Oliveira,Mairink,Pazini,Liao,De Oliveira,Viegas Jr.,De Oliveira,Cunha,Oliveira,Paz Jr.,Eberlin,Menegatti, Ricardo

supporting information, p. 1633 - 1639 (2013/05/22)

The synthesis of formylated 1-phenyl-1H-pyrazole derivatives under the Duff reaction conditions is reported. Our results indicate that 1-phenyl-1H-pyrazole systems containing electron-withdrawing and electron-donating substituents at the phenyl moiety rea

Complete assignment of NMR data of 22 phenyl-1H-pyrazoles' derivatives

De Oliveira, Aline Lima,Alves De Oliveira, Carlos Henrique,Mairink, Laura Maia,Pazini, Francine,Menegatti, Ricardo,Liao, Luciano Morais

scheme or table, p. 537 - 542 (2011/10/09)

Complete assignment of 1H and 13C NMR chemical shifts and J(1H/1H and 1H/19F) coupling constants for 22 1-phenyl-1H-pyrazoles' derivates were performed using the concerted application of 1H 1D and 1H, 13C 2D gs-HSQC and gs-HMBC experiments. All 1-phenyl-1H-pyrazoles' derivatives were synthesized as described by Finar and co-workers. The formylated 1-phenyl-1H-pyrazoles' derivatives were performed under Duff's conditions. Copyright

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