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5-Bromo-1H-indazole-3-carbonitrile is a chemical compound that belongs to the class of organic compounds known as indazoles, which are aromatic heterocyclic compounds containing a pyrazole ring fused to a benzene ring. This particular compound is characterized by the additional bromine atom and a carbonitrile group. Its chemical formula is C8H4BrN3.

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  • 201227-39-6 Structure
  • Basic information

    1. Product Name: 5-Bromo-1H-indazole-3-carbonitrile
    2. Synonyms: 5-BROMO-1H-INDAZOLE-3-CARBOXYNITRILE;5-BROMO-1H-INDAZOLE-3-CARBONITRILE;5-BROMO-3-CYANOINDAZOLE;1H-INDAZOLE-3-CARBONITRILE, 5-BROMO-;5-Bromo-3-cyano-1H-indazole;3-Methyl-1H-indazole hydrochloride;5-Bromo-indazole-3-carbonitrile
    3. CAS NO:201227-39-6
    4. Molecular Formula: C8H4BrN3
    5. Molecular Weight: 222.04
    6. EINECS: N/A
    7. Product Categories: Indazole
    8. Mol File: 201227-39-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 425.268 °C at 760 mmHg
    3. Flash Point: 210.995 °C
    4. Appearance: /
    5. Density: 1.852 g/cm3
    6. Refractive Index: 1.739
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 9.61±0.40(Predicted)
    10. CAS DataBase Reference: 5-Bromo-1H-indazole-3-carbonitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Bromo-1H-indazole-3-carbonitrile(201227-39-6)
    12. EPA Substance Registry System: 5-Bromo-1H-indazole-3-carbonitrile(201227-39-6)
  • 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: 201227-39-6(Hazardous Substances Data)

201227-39-6 Usage

Uses

Used in Pharmaceutical Industry:
5-Bromo-1H-indazole-3-carbonitrile is used as a chemical intermediate for the synthesis of more complex chemical compounds. It plays a crucial role in the development of new pharmaceutical products, contributing to the advancement of medicine and healthcare.
Due to the limited information about its toxicity and safety, 5-Bromo-1H-indazole-3-carbonitrile requires careful handling and adherence to standard laboratory safety procedures to ensure the safety of researchers and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 201227-39-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,1,2,2 and 7 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 201227-39:
(8*2)+(7*0)+(6*1)+(5*2)+(4*2)+(3*7)+(2*3)+(1*9)=76
76 % 10 = 6
So 201227-39-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)

201227-39-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Bromo-1H-indazole-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-Bromo-3-cyano-1H-indazole

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:201227-39-6 SDS

201227-39-6Downstream Products

201227-39-6Relevant articles and documents

Synthetic method of 4-fluoroindazole 3-carbonitrile or derivative thereof

-

Paragraph 0036; 0040; 0044; 0045; 0049, (2020/12/10)

The invention is applicable to the technical field of chemical synthesis, and provides a synthesis method of 4-fluoroindazole 3-carbonitrile or derivatives thereof, which comprises the following steps: reacting 2-fluoro-6-nitrophenylacetaldehyde, ethanol, sodium bicarbonate, hydroxylamine hydrochloride and water to obtain 2-fluoro-6-nitrophenylethyloxime; reacting 2-fluoro-6-nitroacetoxime with acetic anhydride to obtain 2-fluoro-6-nitrophenylacetonitrile; reacting 2-fluoro-6-nitrophenylacetonitrile, tetrahydrofuran, methanol, water, ammonium chloride and iron powder, and reacting with glacialacetic acid and acetic anhydride to obtain 2-acetylamino-6-fluorophenylacetonitrile; reacting 2-acetylamino-6-fluorophenylacetonitrile, glacial acetic acid, acetic anhydride and isoamyl nitrite, andreacting with ethanol and sodium hydroxide to obtain the 4-fluoroindazole 3-carbonitrile. The synthesis method provided by the invention is mild in reaction condition and easy to operate, and the adopted raw materials are conventional and harmless.

Structure-based design of potent and selective inhibitors of the metabolic kinase PFKFB3

Boyd, Scott,Brookfield, Joanna L.,Critchlow, Susan E.,Cumming, Iain A.,Curtis, Nicola J.,Debreczeni, Judit,Degorce, Sébastien L.,Donald, Craig,Evans, Nicola J.,Groombridge, Sam,Hopcroft, Philip,Jones, Neil P.,Kettle, Jason G.,Lamont, Scott,Lewis, Hilary J.,MacFaull, Philip,McLoughlin, Sheila B.,Rigoreau, Laurent J. M.,Smith, James M.,St-Gallay, Steve,Stock, Julie K.,Turnbull, Andrew P.,Wheatley, Edward R.,Winter, Jon,Wingfield, Jonathan

, p. 3611 - 3625 (2015/05/05)

A weak screening hit with suboptimal physicochemical properties was optimized against PFKFB3 kinase using critical structure-guided insights. The resulting compounds demonstrated high selectivity over related PFKFB isoforms and modulation of the target in

N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS

-

, (2011/05/16)

The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions there-of; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl- CoA carboxylase enzyme(s) in an animal

N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS

-

, (2011/06/16)

The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of said compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl- CoA carboxylase enzyme(s) in an animal.

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