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1-(3-Bromopropyl)-3-fluorobenzene, with the chemical formula C9H9BrF, is a clear, colorless liquid that serves as a crucial intermediate in the synthesis of various compounds, including pharmaceuticals, agrochemicals, dyes, polymers, and other organic chemicals. Its structure and properties make it a versatile building block in the chemical industry, despite its classification as a hazardous material that requires careful handling to prevent skin and eye irritation, as well as potential respiratory and central nervous system effects.

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  • 156868-84-7 Structure
  • Basic information

    1. Product Name: 1-(3-BroMopropyl)-3-fluorobenzene
    2. Synonyms: 1-(3-BroMopropyl)-3-fluorobenzene;1-(3-Bromopropyl)-3-Fluorobenzene(WX630249)
    3. CAS NO:156868-84-7
    4. Molecular Formula: C9H10BrF
    5. Molecular Weight: 217.0781032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 156868-84-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(3-BroMopropyl)-3-fluorobenzene(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(3-BroMopropyl)-3-fluorobenzene(156868-84-7)
    11. EPA Substance Registry System: 1-(3-BroMopropyl)-3-fluorobenzene(156868-84-7)
  • 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: 156868-84-7(Hazardous Substances Data)

156868-84-7 Usage

Uses

Used in Pharmaceutical Industry:
1-(3-Bromopropyl)-3-fluorobenzene is used as a synthetic intermediate for the development of new pharmaceuticals. Its unique structure allows for the creation of a wide range of medicinal compounds, contributing to the advancement of drug discovery and therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(3-Bromopropyl)-3-fluorobenzene is utilized as a key component in the synthesis of various agrochemicals. Its role in this industry is essential for the development of new pesticides, herbicides, and other agricultural products that help improve crop yields and protect plants from pests and diseases.
Used in Dye Production:
This chemical compound is also employed in the production of dyes, where its specific properties enable the creation of a diverse array of colorants used in various industries, such as textiles, plastics, and printing.
Used in Polymer Industry:
1-(3-Bromopropyl)-3-fluorobenzene is used as a building block in the synthesis of polymers, which are essential materials in numerous applications, including packaging, automotive, electronics, and construction. Its incorporation into polymer chemistry allows for the development of new materials with improved properties and performance.
Used in Organic Chemicals Synthesis:
1-(3-BroMopropyl)-3-fluorobenzene is also used in the synthesis of a variety of other organic chemicals, further highlighting its versatility and importance in the chemical industry. Its role in this context is vital for the development of new chemicals with potential applications in various fields, such as materials science, environmental science, and biotechnology.
It is crucial to follow proper safety protocols when working with 1-(3-Bromopropyl)-3-fluorobenzene to minimize the risk of exposure and adverse health effects, given its classification as a hazardous material.

Check Digit Verification of cas no

The CAS Registry Mumber 156868-84-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,6,8,6 and 8 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 156868-84:
(8*1)+(7*5)+(6*6)+(5*8)+(4*6)+(3*8)+(2*8)+(1*4)=187
187 % 10 = 7
So 156868-84-7 is a valid CAS Registry Number.

156868-84-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-bromo-propyl)-3-fluoro-benzene

1.2 Other means of identification

Product number -
Other names 1-(3-bromopropyl)-3-fluorobenzene

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:156868-84-7 SDS

156868-84-7Relevant articles and documents

Chemical modification-mediated optimisation of bronchodilatory activity of mepenzolate, a muscarinic receptor antagonist with anti-inflammatory activity

Yamashita, Yasunobu,Tanaka, Ken-ichiro,Yamakawa,Asano,Kanda, Yuki,Takafuji,Kawahara, Masahiro,Takenaga, Mitsuko,Fukunishi, Yoshifumi,Mizushima

, p. 3339 - 3346 (2019/06/18)

The treatment for patients with chronic obstructive pulmonary disease (COPD) usually involves a combination of anti-inflammatory and bronchodilatory drugs. We recently found that mepenzolate bromide (1) and its derivative, 3-(2-hydroxy-2, 2-diphenylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide (5), have both anti-inflammatory and bronchodilatory activities. We chemically modified 5 with a view to obtain derivatives with both anti-inflammatory and longer-lasting bronchodilatory activities. Among the synthesized compounds, (R)-(–)-12 ((R)-3-(2-hydroxy-2,2-diphenylacetoxy)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octane bromide) showed the highest affinity in vitro for the human muscarinic M3 receptor (hM3R). Compared to 1 and 5, (R)-(–)-12 exhibited longer-lasting bronchodilatory activity and equivalent anti-inflammatory effect in mice. The long-term intratracheal administration of (R)-(–)-12 suppressed porcine pancreatic elastase-induced pulmonary emphysema in mice, whereas the same procedure with a long-acting muscarinic antagonist used clinically (tiotropium bromide) did not. These results suggest that (R)-(–)-12 might be therapeutically beneficial for use with COPD patients given the improved effects seen against both inflammatory pulmonary emphysema and airflow limitation in this animal model.

4-alkyloxyimino derivatives of uridine-5′-triphosphate: Distal modification of potent agonists as a strategy for molecular probes of P2Y 2, P2Y4, and P2Y6 receptors

Jayasekara, P. Suresh,Barrett, Matthew O.,Ball, Christopher B.,Brown, Kyle A.,Hammes, Eva,Balasubramanian, Ramachandran,Harden, T. Kendall,Jacobson, Kenneth A.

, p. 3874 - 3883 (2014/05/20)

Extended N4-(3-arylpropyl)oxy derivatives of uridine-5′-triphosphate were synthesized and potently stimulated phospholipase C stimulation in astrocytoma cells expressing G protein-coupled human (h) P2Y receptors (P2YRs) activated by UTP (P2Y2/4R) or UDP (P2Y6R). The potent P2Y4R-selective N4-(3- phenylpropyl)oxy agonist was phenyl ring-substituted or replaced with terminal heterocyclic or naphthyl rings with retention of P2YR potency. This broad tolerance for steric bulk in a distal region was not observed for dinucleoside tetraphosphate agonists with both nucleobases substituted. The potent N 4-(3-(4-methoxyphenyl)-propyl)oxy analogue 19 (EC50: P2Y2R, 47 nM; P2Y4R, 23 nM) was functionalized for chain extension using click tethering of fluorophores as prosthetic groups. The BODIPY 630/650 conjugate 28 (MRS4162) exhibited EC50 values of 70, 66, and 23 nM at the hP2Y2/4/6Rs, respectively, and specifically labeled cells expressing the P2Y6R. Thus, an extended N4-(3- arylpropyl)oxy group accessed a structurally permissive region on three G q-coupled P2YRs, and potency and selectivity were modulated by distal structural changes. This freedom of substitution was utilized to design of a pan-agonist fluorescent probe of a subset of uracil nucleotide-activated hP2YRs.

SYNTHESIS AND UTILIZATION OF SMALL MOLECULES FOR THE TREATMENT OF INFLAMMATION ASSOCIATED WITH INTERLEUKIN-1 SIGNALING

-

Page/Page column 11-12; 2/2, (2010/04/03)

The invention describes synthetic compounds, methods of preparation and their uses thereof an anti-inflammatory compounds that reduce inflammation associated with interleukin-1signaling.

AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF

-

Page/Page column 67, (2010/04/25)

Provided is a novel amine compound represented by the following formula (I) having a superior peripheral blood lymphocyte decreasing action and superior in the immunosuppressive action, rejection suppressive action and the like, which shows decreased side effects of, for example, bradycardia and the like, or a pharmaceutically acceptable acid addition salt thereof, or a hydrate thereof, or a solvate thereof. wherein each symbol is as defined in the specification.

3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES

-

, (2008/12/07)

This invention relates to the prevention and treatment of cerebral insufficiency, including enhancement of receptor functioning in synapses in brain networks responsible for higher order behaviors. These brain networks are involved in cognitive abilities related to memory impairment, such as is observed in a variety of dementias and in imbalances in neuronal activity between different brain regions, as is suggested in disorders such as Parkinson's disease, schizophrenia and affective disorders. In a particular aspect, the present invention relates to compounds useful for treatment of such conditions, and methods of using these compounds for such treatment.

Synthesis of N-glyoxyl prolyl and pipecolyl amides and thioesters and evaluation of their in vitro and in vivo nerve regenerative effects

Hamilton, Gregory S.,Wu, Yong-Qian,Limburg, David C.,Wilkinson, Douglas E.,Vaal, Mark J.,Li, Jia-He,Thomas, Christine,Huang, Wei,Sauer, Hansjorg,Ross, Douglas T.,Soni, Raj,Chen, Yi,Guo, Hongshi,Howorth, Pamela,Valentine, Heather,Liang, Shi,Spicer, Dawn,Fuller, Mike,Steiner, Joseph P.

, p. 3549 - 3557 (2007/10/03)

The recent discovery that small molecule ligands for the peptidyl-prolyl isomerase (PPIase) FKBP12 possess powerful neuroprotective and neuroregenerative properties in vitro and in vivo suggests therapeutic utility for such compounds in neurodegenerative disease. The neurotrophic effects of these compounds are independent of the immunosuppressive pathways by which drugs such as FK506 and rapamycin operate. Previous work by ourselves and other groups exploring the structure-activity relationships (SAR) of small molecules that mimic only the FKBP binding domain portion of FK506 has focused on esters of proline and pipecolic acid. We have explored amide and thioester analogues of these earlier structures and found that they too are extremely potent in promoting recovery of lesioned dopaminergic pathways in a mouse model of Parkinson's disease. Several compounds were shown to be highly effective upon oral administration after lesioning of the dopaminergic pathway, providing further evidence of the potential clinical utility of a variety of structural classes of FKBP12 ligands.

Syntheses of Tetrahydronaphthalenes. Part II

Parlow, John J.

, p. 3297 - 3314 (2007/10/02)

Syntheses utilizing the cyclodehydration method to prepare novel tetrahydronaphthalenes substituted with functional groups at each position of the aromatic ring and various alkyl groups at the 1-position of the non-aromatic ring are described.

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