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1-Ethyl-3-fluorobenzene, an organic compound with the chemical formula C8H9F, is a colorless liquid characterized by a sweet odor. It is utilized in various industrial applications, primarily due to its solvent properties and its role in the synthesis of a range of chemicals. Classified as a flammable liquid, 1-Ethyl-3-fluorobenzene requires careful handling and storage to prevent accidents. While not highly toxic, it can cause irritation to the skin, eyes, and respiratory system if not properly managed during contact or inhalation.

696-39-9

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696-39-9 Usage

Uses

Used in Pharmaceutical Manufacturing:
1-Ethyl-3-fluorobenzene is used as a key intermediate in the synthesis of pharmaceuticals for its ability to facilitate the production of various medicinal compounds.
Used in Pesticide Production:
In the agricultural sector, 1-Ethyl-3-fluorobenzene is employed as a component in the creation of pesticides, contributing to the development of effective crop protection agents.
Used in Organic Compound Synthesis:
Beyond its direct applications, 1-Ethyl-3-fluorobenzene serves as a versatile building block in the synthesis of other organic compounds, expanding its utility across different chemical industries.
It is imperative to adhere to proper safety procedures when working with 1-Ethyl-3-fluorobenzene to mitigate the risks associated with its flammable nature and potential for irritation.

Check Digit Verification of cas no

The CAS Registry Mumber 696-39-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,9 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 696-39:
(5*6)+(4*9)+(3*6)+(2*3)+(1*9)=99
99 % 10 = 9
So 696-39-9 is a valid CAS Registry Number.

696-39-9SDS

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-Ethyl-3-fluorobenzene

1.2 Other means of identification

Product number -
Other names 3-ethylfluorobenzene

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:696-39-9 SDS

696-39-9Relevant academic research and scientific papers

Controlling the Lewis Acidity and Polymerizing Effectively Prevent Frustrated Lewis Pairs from Deactivation in the Hydrogenation of Terminal Alkynes

Geng, Jiao,Hu, Xingbang,Liu, Qiang,Wu, Youting,Yang, Liu,Yao, Chenfei

, p. 3685 - 3690 (2021/05/31)

Two strategies were reported to prevent the deactivation of Frustrated Lewis pairs (FLPs) in the hydrogenation of terminal alkynes: reducing the Lewis acidity and polymerizing the Lewis acid. A polymeric Lewis acid (P-BPh3) with high stability was designed and synthesized. Excellent conversion (up to 99%) and selectivity can be achieved in the hydrogenation of terminal alkynes catalyzed by P-BPh3. This catalytic system works quite well for different substrates. In addition, the P-BPh3 can be easily recycled.

Hydrogenation of Alkenes Catalyzed by a Non-pincer Mn Complex

Rahaman, S. M. Wahidur,Pandey, Dilip K.,Rivada-Wheelaghan, Orestes,Dubey, Abhishek,Fayzullin, Robert R.,Khusnutdinova, Julia R.

, p. 5912 - 5918 (2020/10/30)

Hydrogenation of substituted styrenes and unactivated aliphatic alkenes by molecular hydrogen has been achieved using a Mn catalyst with a non-pincer, picolylphosphine ligand. This is the second reported example of alkene hydrogenation catalyzed by a Mn complex. Mechanistic studies showed that a Mn hydride formed by H2 activation in the presence of a base is the catalytically active species. Based on experimental and DFT studies, H2 splitting is proposed to occur via a metal-ligand cooperative pathway involving deprotonation of the CH2 arm of the ligand, leading to pyridine dearomatization.

An unprecedented anionic Ln-MOF with a cage-within-cage motif: Spontaneous reduction and immobilization of ion-exchanged Pd(II) to Pd-NPs in the framework

Han, Yun-Hu,Tian, Chong-Bin,Lin, Ping,Du, Shao-Wu

, p. 24525 - 24531 (2015/12/09)

An unprecedented microporous anionic Ln-MOF, [Me2NH2]24[Tb12(TATB)16(HCOO)12]·12DMF·48H2O (1) (H3TATB = 4,4′,4′′-s-triazine-2,4,6-tribenzoic acid), which is a rare cage-within-cage structure through interpenetration rather than covalent bonding, has been synthesized. Compound 1 contains a 3D net which is constructed using a large and a small Ln-carboxylate cage alternately arranged by sharing faces with each other. Interpenetration of two identical 3D nets occurs in such a way that each small cage of one net is encapsulated within the large cage of the other and vice versa, generating an overall 3D double-walled cage framework. Such interpenetration creates a unique structure of double-shelled hollow space to accommodate Pd nanoparticles (Pd-NPs), which could effectively prevent Pd-NPs from aggregation and leaching. Moreover, the ion-exchanged Pd(ii) embedded in the framework can be readily reduced at room temperature with no requirement of any chemical or thermal treatments, affording Pd-NPs with uniform size and even distribution. As a result, the as-prepared Pd-NPs@1 exhibits excellent activity and cycling stability for the hydrogenation of styrene and its derivatives.

Synthesis and mesomorphic properties of laterally fluorinated alkyl 4′′-alkylterphenyl-4-yl carbonate liquid crystals

Choluj, Artur,Kula, Przemyslaw,Dabrowski, Roman,Tykarska, Marzena,Jaroszewicz, Leszek

, p. 891 - 900 (2014/01/23)

Fifteen series of homologues of a variety of mono-, di- and trifluorosubstituted alkyl 4′′-alkylterphenyl-4-yl carbonates have been synthesized and their mesomorphic properties have been determined. From among 95 prepared compounds, 40 pure nematogens have been found, as well as 55 mesogens with orthogonal and tilted smectic phases in broad temperature ranges. The type and combination of the LC phase strongly depend on the position and number of the fluorine atoms. Physical properties and correlations between the molecular core fluorosubstitution, the length of the terminal chains and the type and sequence of the liquid crystalline phases, have been determined. The compounds are useful for the formulation of nematic mixtures as well as ferroelectric ones.

Room-temperature transfer hydrogenation and fast separation of unsaturated compounds over heterogeneous catalysts in an aqueous solution of formic acid

Gong, Ling-Hong,Cai, Yi-Yu,Li, Xin-Hao,Zhang, Ya-Nan,Su, Juan,Chen, Jie-Sheng

, p. 3746 - 3751 (2014/08/05)

The facile conversion of olefins and unsaturated biomass to saturated compounds is achieved over heterogeneous catalysts composed of noble metal nanoparticles and carbon nitride. Reactions could proceed smoothly at room temperature in water using formic acid as the hydrogen source. The reusability of such a hybrid catalyst is high due to the strong Mott-Schottky effect between the metal nanoparticles and the carbon nitride support. The fast and automatic separation of the as-formed saturated hydrocarbons from water combined with the mild reaction conditions and the excellent reusability of catalysts make the catalytic process a highly "green" path for hydrogenation of unsaturated compounds and biofuel upgrading. This journal is the Partner Organisations 2014.

Regioselective arene functionalization: Simple substitution of carboxylate by alkyl groups

Krueger, Tobias,Vorndran, Katja,Linker, Torsten

experimental part, p. 12082 - 12091 (2010/05/17)

Arenes with various alkyl side-chains were synthesized in high yields and excellent regioselectivities. Starting from toluic and naphthoic acids, the carboxylate group was conveniently substituted by alkyl halides by Birch reduction and subsequent decarbonylation. The method is characterized by inexpensive starting materials and reagents, and methylation of arenes was realized. Besides simple alkyl substituents, the scope of arene functionalization was extended by benzyl, fluoro, amino, and ester groups. We were able to control the alkylation of 1-naphthoic acid during Birch reduction by the addition of tert-butanol. This allowed the regioselective synthesis of mono and bis-substituted naphthalenes from the same starting material.

Practical synthesis of optically active fluorine-substituted α-phenylethylamines by retardation of hydrogenolytic cleavage at benzylic position

Kanai, Masatomi,Yasumoto, Manabu,Kuriyama, Yokusu,Inomiya, Kenjin,Katsuhara, Yutaka,Higashiyama, Kimio,Ishii, Akihiro

, p. 1424 - 1425 (2007/10/03)

High regioselectivity in hydrogenolysis of bis(α-methylbenzyl)amines having a fluorine atom on aromatic ring results from retardation of hydrogenolytic cleavage at benzylic position of fluorine-substituted aromatic ring.

Preparation process of fluorine substituted aromatic compound

-

, (2008/06/13)

A preparation process of a fluorine substituted aromatic compound comprising reacting an alkali metal or alkali earth metal salt of an aromatic compound having a hydroxy group with an organic fluorinating agent is disclosed. As a representative fluorinating agent, a bis-dialkylamino-difluoromethane compound, for example, 2,2′-difluoro-1,3-dimethylimidazolidine, is exemplified. According to the process, an industrially useful fluorinated aromatic compound, for example, a fluorobenzene, a fluorine substituted benzophenone, a fluorine substituted diarylsulfone can be prepared with ease in economy without specific equipment.

Direct Formation of (Haloaryl)copper Nucleophiles from Haloiodobenzenes and Active Copper

Ebert, Greg W.,Pfennig, Deborah R.,Suchan, Scott D.,Donovan, Thomas A.,Aouad, Emmanuel,et al.

, p. 2361 - 2364 (2007/10/02)

(o-Halophenyl)-, (m-halophenyl)-, and (p-halophenyl)copper reagents have been formed in moderate to high yields at room temperature from active copper and the corresponding haloiodobenzenes.These reagents have been cross-coupled with a variety of alkyl and acyl halides to produce the respective haloarenes and haloaryl ketones.Remarkably, (o-fluorophenyl)- and (o-chlorophenyl)copper are produced in good yields by this procedure without undergoing elimination to form benzyne making this approach a convenient method for generating o-halophenyl nucleophiles.

Structure of ω-Arylalkyl Radicals: A 13C CIDNP Investigation

Olah, George A.,Krishnamurthy, V. V.,Singh, Brij P.,Iyer, Pradeep S.

, p. 955 - 963 (2007/10/02)

Thermolysis of a series of ω-arylalkanoyl m-chlorobenzoyl (and acetyl) peroxides at ca. 100 deg C in cyclohexanone and in hexachloroacetone was studied by using 13C chemically induced dynamic nuclear polarization.Analysis of the observed 13C polarizations indicate that all the three radicals (β-arylethyl, γ-arylpropyl and δ-arylbutyl) have open-chain structures with no evidence for aryl participation resulting in spirocycloalkylcyclohexadienyl radicals.

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