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2-Bromo-5-fluorobenzenepropanoic acid is a chemical compound with the molecular formula C9H8BrFO2. It is an aromatic halogen compound, characterized by the presence of bromine and fluorine as halogen substituents on the benzene ring, and a propyl carboxylic acid chain. 2-Bromo-5-fluorobenzenepropanoic acid is known for its stability and resonance, and as an organic compound, it can participate in various chemical reactions. It may be used in chemical research or synthesis, although its specific properties such as melting point, boiling point, and density can vary. Currently, there is limited information available regarding its toxicity or potential applications in medicine or industry.

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  • 1003048-71-2 Structure
  • Basic information

    1. Product Name: 2-Bromo-5-fluorobenzenepropanoic acid
    2. Synonyms: 2-Bromo-5-fluorobenzenepropanoic acid;Benzenepropanoic acid, 2-broMo-5-fluoro-;3-(2-broMo-5-fluorophenyl)propanoic acid;3-(2-Bromo-5-fluorophenyl)propionic acid, 2-Bromo-5-fluorohydrocinnamic acid;3-(2-Bromo-5-fluoro-phenyl)-propionic acid
    3. CAS NO:1003048-71-2
    4. Molecular Formula: C9H8BrFO2
    5. Molecular Weight: 247.0610232
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1003048-71-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 322.7±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.606±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 4.53±0.10(Predicted)
    10. CAS DataBase Reference: 2-Bromo-5-fluorobenzenepropanoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Bromo-5-fluorobenzenepropanoic acid(1003048-71-2)
    12. EPA Substance Registry System: 2-Bromo-5-fluorobenzenepropanoic acid(1003048-71-2)
  • 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: 1003048-71-2(Hazardous Substances Data)

1003048-71-2 Usage

Uses

Used in Chemical Research:
2-Bromo-5-fluorobenzenepropanoic acid is used as a research compound for exploring its chemical properties and potential reactivity. Its unique structure with halogen substituents and a carboxylic acid chain makes it a candidate for studying various chemical reactions and interactions.
Used in Synthesis:
2-Bromo-5-fluorobenzenepropanoic acid is used as a synthetic intermediate in the preparation of more complex organic molecules. Its presence in the molecule can influence the final product's properties, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals.
Used in Pharmaceutical Development:
Although information on the toxicity and specific uses of 2-Bromo-5-fluorobenzenepropanoic acid in medicine is limited, it may be used as a starting material or a building block in the development of new pharmaceutical compounds. Its unique structure could potentially contribute to the creation of novel drugs with specific therapeutic properties.
Used in Industrial Applications:
2-Bromo-5-fluorobenzenepropanoic acid may also find use in various industrial applications, such as in the production of specialty chemicals, materials, or dyes. Its aromatic halogen structure could be exploited for specific properties or reactivity in these applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1003048-71-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,3,0,4 and 8 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1003048-71:
(9*1)+(8*0)+(7*0)+(6*3)+(5*0)+(4*4)+(3*8)+(2*7)+(1*1)=82
82 % 10 = 2
So 1003048-71-2 is a valid CAS Registry Number.

1003048-71-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-bromo-5-fluorophenyl)propanoic acid

1.2 Other means of identification

Product number -
Other names I01-8675

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:1003048-71-2 SDS

1003048-71-2Downstream Products

1003048-71-2Relevant articles and documents

Highly Diastereoselective Synthesis of Medium-Sized Carbocycle-Fused Piperidines via Sequential Hydride Shift Triggered Double C(sp3)-H Bond Functionalization

Kataoka, Miyabi,Otawa, Yuna,Ido, Natsuki,Mori, Keiji

supporting information, p. 9334 - 9338 (2019/11/19)

Herein we report a diastereoselective synthesis of medium-sized carbocycle-fused piperidines via [1,n (n = 6, 7)]-[1,5]-sequential hydride shift triggered double C(sp3)-H bond functionalization. When cinnamylidene malonates having N,N-dibenzyl propylamine moiety were treated with 5 mol % of Yb(OTf)3, a [1,6]-[1,5]-sequential hydride shift/cyclization process proceeded to afford seven-membered carbocycle-fused piperidines with excellent diastereoselectivities. This sequential system was applicable to the synthesis of eight-membered carbocycle-fused piperidines by an unprecedented [1,7]-[1,5]-sequential hydride shift/cyclization process.

Construction of seven-and eight-membered carbocycles by Lewis acid catalyzed C(sp3)-H bond functionalization

Otawa, Yuna,Mori, Keiji

supporting information, p. 13856 - 13859 (2019/11/21)

We achieved a concise construction of seven-and eight-membered carbocycles via Lewis acid catalyzed C(sp3)-H bond functionalization. In these reactions, a quite rare [1,6 (or 7)]-hydride shift/cyclization process proceeded smoothly to afford seven-and eight-membered carbocycles with good chemical yields starting from substrates with high conformational freedom.

AMINOINDAN DERIVATIVE OR SALT THEREOF

-

Page/Page column 13, (2009/04/23)

Provided is a compound that is an NMDA receptor antagonist having a broader safety margin, and is useful as an agent for treating or preventing Alzheimer's disease, cerebrovascular dementia, Parkinson's disease, ischemic apoplexy, or pain. A novel compound or a salt thereof, which is characterized in that it has an amino group and R1(lower alkyl, cycloalkyl, -lower alkylene-aryl, aryl which may be substituted, and the like) on carbon atoms of indane, cyclopenta[b]thiophene, cyclopenta[b]furan, cyclopenta[b]pyridine, or cyclopenta[c]pyridine ring, or 2,3-dihydrdo-1-benzofuran, 2,3-dihydrdo-1-benzothiophene, indoline ring, or the like, and has R2 and R3 (the same or different, each lower alkyl or aryl) on carbon atoms beside them, and an NMDA receptor antagonist comprising the same as an active component.

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