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4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96 is a chemical compound characterized by a benzene ring with a bromine atom at the 4th position, a fluorine atom at the 2nd position, and an ethynyl group at the 1st position. It is a versatile and important chemical in the field of organic chemistry, known for its diverse applications across various industries.

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  • 302912-33-0 Structure
  • Basic information

    1. Product Name: 4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96
    2. Synonyms: 4-BROMO-1-ETHYNYL-2-FLUORO-BENZENE;4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96;4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96%;Benzene, 4-broMo-1-ethynyl-2-fluoro-;4-Bromo-2-fluorophenylacetylene
    3. CAS NO:302912-33-0
    4. Molecular Formula: C8H4BrF
    5. Molecular Weight: 199.0197632
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 302912-33-0.mol
  • Chemical Properties

    1. Melting Point: 54-59 °C(lit.)
    2. Boiling Point: 197.2°C at 760 mmHg
    3. Flash Point: 110 °C
    4. Appearance: /
    5. Density: 1.58g/cm3
    6. Vapor Pressure: 0.538mmHg at 25°C
    7. Refractive Index: 1.577
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96(302912-33-0)
    12. EPA Substance Registry System: 4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96(302912-33-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 302912-33-0(Hazardous Substances Data)

302912-33-0 Usage

Uses

Used in Pharmaceutical Industry:
4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96 is used as a key intermediate in the synthesis of biologically active compounds for pharmaceutical applications. Its unique structure allows for the development of new drugs with potential therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical industry, 4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96 serves as a building block for the creation of agrochemicals, such as pesticides and herbicides, that help protect crops from pests and diseases.
Used in Organic Synthesis:
4-BROMO-1-ETHYNYL-2-FLUOROBENZENE 96 is utilized as a versatile building block in organic synthesis to construct more complex molecules. Its presence in various chemical reactions contributes to the formation of advanced materials and compounds with specific properties for different applications.

Check Digit Verification of cas no

The CAS Registry Mumber 302912-33-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,2,9,1 and 2 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 302912-33:
(8*3)+(7*0)+(6*2)+(5*9)+(4*1)+(3*2)+(2*3)+(1*3)=100
100 % 10 = 0
So 302912-33-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H4BrF/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H

302912-33-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-bromo-1-ethynyl-2-fluorobenzene

1.2 Other means of identification

Product number -
Other names 4-bromo-1-ethynyl-2-fluoro-benzene

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:302912-33-0 SDS

302912-33-0Relevant articles and documents

Design, synthesis, and biological evaluation of novel 2′-methyl-2′-fluoro-6-methyl-7-alkynyl-7-deazapurine nucleoside analogs as anti-Zika virus agents

Yao, Guoqiang,Yu, Jianchen,Lin, Cai,Zhu, Yujia,Duan, Anna,Li, Mengfeng,Yuan, Jie,Zhang, Jiancun

, (2022/03/23)

Zika virus (ZIKV) is a mosquito-borne flavivirus and outbreaks of ZIKV have been reported in Africa, Americas and other parts of the world lately. The ZIKV epidemic has received extensive attention due to its ability to cause serious medical consequences and complications such as microcephaly and Guillain-Barre syndrome in recent years. Up to now, there are no specific treatments or vaccines available for ZIKV infection, which highlights the urgent need for developing new therapies. In this work, we designed and synthesized a series of novel 6-methyl-7-acetylenenyl-7-deazapurine nucleoside analogs as potential inhibitors of ZIKV replication. The biological activities against ZIKV replication were evaluated and the structure-activity relationship (SAR) was also studied. Among the compounds evaluated, nucleoside analog 38 (EC50 = 2.8 ± 0.8 μM, EC90 = 6.8 ± 2.3 μM) showed the most potent anti-ZIKV activity with low cytotoxicity (CC50 = 54.1 ± 6.9 μM) in an A549 based cellular model. The inhibitory activity of 38 was about 5 times more potent than the positive control NITD008. Notably, 38 showed similar inhibition potency against different ZIKV strains (ZG-01 and MR766) in a variety of host cell types including SNB19, A549, Huh7, Vero. In addition, 38 (Kd = 1.87 μM) has a stronger affinity to ZIKV RNA-dependent RNA polymerase (RdRp) protein than NITD008 (Kd = 3.43 μM) in the non-phosphorylation assay. These results indicated that compound 38 may serve as a promising candidate in future anti-ZIKV drug discovery.

ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS

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Page/Page column 44-45, (2013/03/26)

The present invention relates to alkynyl substituted pyrimidinyl-pyrrole compounds which modulate the activity of protein kinases and are therefore useful in treating diseases caused by dysregulated protein kinase activity, in particular Jak and/or Src fa

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