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8-bromo-4-methylquinoline, an organic compound with the molecular formula C10H8BrN, is a derivative of quinoline. It is characterized by its yellow crystalline solid appearance, a melting point of 80-82°C, and a boiling point of 280-300°C. 8-bromo-4-methylquinoline is insoluble in water but readily soluble in organic solvents such as ethanol and ether. Its versatile reactivity and utility in organic synthesis make it a valuable chemical compound for scientific research and industrial applications.

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  • 172939-50-3 Structure
  • Basic information

    1. Product Name: 8-bromo-4-methylquinoline
    2. Synonyms: 8-bromo-4-methylquinoline;Quinoline, 8-broMo-4-Methyl-;8-Bromo-4-methylquinolin
    3. CAS NO:172939-50-3
    4. Molecular Formula: C10H8BrN
    5. Molecular Weight: 222.084
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 172939-50-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 315.773 °C at 760 mmHg
    3. Flash Point: 144.774 °C
    4. Appearance: /
    5. Density: 1.488 g/cm3
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.654
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 8-bromo-4-methylquinoline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 8-bromo-4-methylquinoline(172939-50-3)
    12. EPA Substance Registry System: 8-bromo-4-methylquinoline(172939-50-3)
  • 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: 172939-50-3(Hazardous Substances Data)

172939-50-3 Usage

Uses

Used in Pharmaceutical Industry:
8-bromo-4-methylquinoline is used as a synthetic intermediate for the development of various biologically active compounds. Its unique structure and reactivity contribute to the creation of pharmaceuticals with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 8-bromo-4-methylquinoline serves as a key intermediate in the synthesis of compounds with pesticidal or herbicidal properties, aiding in the development of effective crop protection agents.
Used in Organic Synthesis:
8-bromo-4-methylquinoline is utilized as a building block in organic synthesis, enabling the creation of a wide range of chemical compounds for various applications across different industries. Its versatility in reactions makes it an essential component in the synthesis of complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 172939-50-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,9,3 and 9 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 172939-50:
(8*1)+(7*7)+(6*2)+(5*9)+(4*3)+(3*9)+(2*5)+(1*0)=163
163 % 10 = 3
So 172939-50-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H8BrN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,1H3

172939-50-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-Bromo-4-methylquinoline

1.2 Other means of identification

Product number -
Other names 8-bromo-4-methylquinoline

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:172939-50-3 SDS

172939-50-3Downstream Products

172939-50-3Relevant articles and documents

Synthesis and antileishmanial evaluation of thiazole orange analogs

Abdelhameed, Ahmed,Liao, Xiaoping,McElroy, Craig A.,Joice, April C.,Rakotondraibe, Liva,Li, Junan,Slebodnick, Carla,Guo, Pu,Wilson, W. David,Werbovetz, Karl A.

supporting information, (2019/11/28)

Cyanine compounds have previously shown excellent in vitro and promising in vivo antileishmanial efficacy, but the potential toxicity of these agents is a concern. A series of 22 analogs of thiazole orange ((Z)-1-methyl-4-((3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)quinolin-1-ium salt), a commercial cyanine dye with antileishmanial activity, were synthesized in an effort to increase the selectivity of such compounds while maintaining efficacy. Cyanines possessing substitutions on the quinolinium ring system displayed potency against Leishmania donovani axenic amastigotes that differed little from the parent compound (IC50 12–42 nM), while ring disjunction analogs were both less potent and less toxic. Changes in DNA melting temperature were modest when synthetic oligonucleotides were incubated with selected analogs (ΔTm ≤ 5 °C), with ring disjunction analogs showing the least effect on this parameter. Despite the high antileishmanial potency of the target compounds, their toxicity and relatively flat SAR suggests that further information regarding the target(s) of these molecules is needed to aid their development as antileishmanials.

CO-CRYSTALS OF (S)-N-METHYL-8-(1-((2'-METHYL-[4,5'-BIPYRIMIDIN]-6-YL)AMINO)PROPAN-2-YL)QUINOLINE-4-CARBOXAMIDE AND DEUTERATED DERIVATIVES THEREOF AS DNA-PK INHIBITORS

-

Paragraph 00177, (2015/05/05)

The present invention relates to compositions and co-crystals each comprising a compound of formula I having the structure: wherein each of R1 and R2 is H or 2H and a co-crystal former selected from adipic acid, citric acid, fumaric acid, maleic acid, succinic acid, or benzoic acid. Also within the scope of this invention are methods of making and using the same.

DNA-PK INHIBITORS

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Paragraph 0266, (2013/11/05)

The present invention relates to compounds useful as inhibitors of DNA-PK. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

ISOXAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS

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Page/Page column 136-137, (2010/11/03)

The present invention relates to isoxazoline compounds which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary com- position comprising said compounds.

The synthesis and biological evaluation of quinolyl-piperazinyl piperidines as potent serotonin 5-HT1A antagonists

Childers, Wayne E.,Havran, Lisa M.,Asselin, Magda,Bicksler, James J.,Chong, Dan C.,Grosu, George T.,Shen, Zhongqi,Abou-Gharbia, Magid A.,Bach, Alvin C.,Harrison, Boyd L.,Kagan, Natasha,Kleintop, Teresa,Magolda, Ronald,Marathias, Vasilios,Robichaud, Albert J.,Sabb, Annmarie L.,Zhang, Mei-Yi,Andree, Terrance H.,Aschmies, Susan H.,Beyer, Chad,Comery, Thomas A.,Day, Mark,Grauer, Steven M.,Hughes, Zoe A.,Rosenzweig-Lipson, Sharon,Platt, Brian,Pulicicchio, Claudine,Smith, Deborah E.,Sukoff-Rizzo, Stacy J.,Sullivan, Kelly M.,Adedoyin, Adedayo,Huselton, Christine,Hirst, Warren D.

experimental part, p. 4066 - 4084 (2010/08/06)

As part of an effort to identify 5-HT1A antagonists that did not possess typical arylalkylamine or keto/amido-alkyl aryl piperazine scaffolds, prototype compound 10a was identified from earlier work in a combined 5-HT 1A antagonist/SSRI program. This quinolyl-piperazinyl piperidine analogue displayed potent, selective 5-HT1A antagonism but suffered from poor oxidative metabolic stability, resulting in low exposure following oral administration. SAR studies, driven primarily by in vitro liver microsomal stability assessment, identified compound 10b, which displayed improved oral bioavailability and lower intrinsic clearance. Further changes to the scaffold (e.g., 10r) resulted in a loss in potency. Compound 10b displayed cognitive enhancing effects in a number of animal models of learning and memory, enhanced the antidepressant-like effects of the SSRI fluoxetine, and reversed the sexual dysfunction induced by chronic fluoxetine treatment.

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