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ETHYL 2-FLUORO-5-NITROBENZOATE is a chemical compound with the molecular formula C9H8FNO4. It is characterized by the presence of an ethyl group, a fluorine atom, and a nitro group on a benzene ring. This substance is mainly of interest in the field of organic chemistry, where it can be utilized as a reagent or building block in various syntheses. The properties of ETHYL 2-FLUORO-5-NITROBENZOATE are significantly influenced by factors such as temperature, pressure, and its purity. Due to the potential reactivity of the nitro groups and the high electronegativity of the fluorine atom, it is essential to handle ETHYL 2-FLUORO-5-NITROBENZOATE under controlled conditions.

367-79-3

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367-79-3 Usage

Uses

Used in Organic Chemistry:
ETHYL 2-FLUORO-5-NITROBENZOATE is used as a reagent for various chemical syntheses, providing a versatile building block in the creation of more complex molecules. Its unique combination of functional groups allows for a wide range of applications in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, ETHYL 2-FLUORO-5-NITROBENZOATE is used as a key intermediate in the synthesis of certain drugs. Its presence of a fluorine atom and a nitro group can be strategically utilized to introduce specific properties or reactivity to the final drug molecule, potentially improving its efficacy or reducing side effects.
Used in Agrochemical Production:
ETHYL 2-FLUORO-5-NITROBENZOATE is employed as a building block in the development of agrochemicals, such as pesticides and herbicides. The incorporation of ETHYL 2-FLUORO-5-NITROBENZOATE into the molecular structure of these products can enhance their effectiveness in controlling pests and weeds, while also potentially reducing their environmental impact.
Used in Specialty Chemicals:
In the production of specialty chemicals, ETHYL 2-FLUORO-5-NITROBENZOATE is used as a valuable precursor. Its unique structure can be incorporated into the synthesis of dyes, fragrances, and other high-value chemicals, where its properties can contribute to improved performance or novel characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 367-79-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,6 and 7 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 367-79:
(5*3)+(4*6)+(3*7)+(2*7)+(1*9)=83
83 % 10 = 3
So 367-79-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H8FNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3

367-79-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name ETHYL 2-FLUORO-5-NITROBENZOATE

1.2 Other means of identification

Product number -
Other names 2-Fluor-5-nitrobenzoesaeure-aethylester

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:367-79-3 SDS

367-79-3Relevant academic research and scientific papers

The discovery of novel small molecule allosteric activators of aldehyde dehydrogenase 2

Tian, Wei,Guo, Jiapeng,Zhang, Qingsen,Fang, Shaoyu,Zhou, Ruolan,Hu, Jian,Wang, Mingping,Zhang, Yuefan,Guo, Jin-Min,Chen, Zhuo,Zhu, Ju,Zheng, Canhui

, (2021)

Aldehyde dehydrogenase 2 (ALDH2) plays important role in ethanol metabolism, and also serves as an important shield from the damage occurring under oxidative stress. A special inactive variant was found carried by 35–45% of East Asians. The variant carriers have recently been found at the higher risk for the diseases related to the damage occurring under oxidative stress, such as cardiovascular and cerebrovascular diseases. As a result, ALDH2 activators may potentially serve as a new class of therapeutics. Herein, N-benzylanilines were found as novel allosteric activators of ALDH2 by computational virtual screening using ligand-based and structure-based screening parallel screening strategy. Then a structural optimization was performed and has led to the discovery of the compound C6. It has good activity in vitro and in vivo, which could reduce infarct size by ~70% in ischemic stroke rat models. This study provided good lead compounds for the further development of ALDH2 activators.

ALDH2 agonist, preparation method and application thereof

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Paragraph 0048-0053, (2019/07/10)

The invention belongs to the technical field of medicines, and particularly relates to an ALDH2 agonist, a preparation method and application thereof. The ALDH2 agonist has a novel structure and excellent ALDH2 agonist activity.

FUSED HETEROCYCLIC COMPOUND

-

Page/Page column 94, (2008/06/13)

The present invention relates to a compound represented by the formula: wherein W is C(R 1 ) or N, each A is an optionally substituted aryl group or a heteroaryl group, X 1 is -NR 3 -Y 1 -, -O-, -S-, -SO-, -SO 2 or -CHR 3 - wherein R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R 3 is optionally bonded to A to form an optionally substituted ring structure, R 1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R 2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R 1 and R 2 , or R 2 and R 3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

SUBSTITUTED ISOQUINOLINONES

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Page/Page column 56-57, (2010/02/11)

Isoquinolinone compounds are provided that are useful for the inhibition of ADP-platelet aggregation, particularly in the treatment of thrombosis and thrombosis related conditions or disorders.

NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME

-

Example 59, (2010/01/31)

Disclosed are compounds represented by formula (I) which have triglyceride biosynthesis inhibitory activity in the liver and inhibitory activity against the secretion of apolipoprotein B-containing lipoprotein from the liver and particularly have excellent inhibitory activity against the secretion of apolipoprotein B-containing lipoprotein, are free from side effect of accumulation of lipids in the liver, and are useful for the treatment and prevention of hyperlipidemia and arteriosclerotic diseases. In formula (I), R1 and R2 represent alkyl, alkoxy, cycloalkyl, phenyl, alkenyl, alkynyl, or a five- or six-membered saturated or unsaturated heterocyclic ring, or R1 and R2, together with a nitrogen atom to which R1 and R2 are attached, may form a ring; R3 and R4 represent a hydrogen atom, alkyl, a halogen atom, hydroxyl, nitrile, alkoxycarbonyl, alkoxy, or carboxyl; or R2 and R3 may be attached to each other to form -(CH2)m-, -N=CH-, -CH=N-, or -(C1-6 alkyl)C=N-; A, D, E, and G each represent a carbon atom, or any one of A, D, E, and G represents a nitrogen atom with the other three each representing a carbon atom; Q represents a nitrogen atom or a carbon atom; Y represents a group represented by formula (II) wherein X represents a hydrogen atom, group -C(=O)N(R5)R6 or group -C(=O)OR7, R8 is absent or represents a bond, an oxygen atom, a sulfur atom, -SO2-, -SO-, -CH2-CH2-, or - CH=CH-, and R9 and R10 represent a hydrogen atom, alkyl, alkoxy, a halogen atom, or hydroxyl; and Z represents - (CH2)n-, -O-(CH2)i-, or -C(=O)NH-(CH2)i-.

Hydroxylamine derivative of 5-nitro-8-hydroxy quinoline

-

, (2008/06/13)

Novel hydroxylamino derivatives of the formula wherein Ar is selected from the group consisting of mono- and polycyclic aromatics and hetero-aromatics, both optionally substituted with at least one member of the group consisting of --OH, halogen, --NO2, --CN, STR1 --R7, --OR8, STR2 --SO2 R12, --SO3 R13, --COOR14, aryl of 6 to 14 carbon atoms, --OR16, --CH2 --CN and --CH2 SO2 --R15, R1, R2, R3, R4, R5 and R6 are individually selected from the group consisting of hydrogen and alkyl of 1 to 8 carbon atoms, R7 and R8 are optionally unsaturated alkyl of 1 to 8 carbon atoms optionally substituted with at least one member of the group consisting of halogen and cyano, R9, R10, R11, R12 and R13 are alkyl of 1 to 8 carbon atoms, Z is selected from the group consisting of hydrogen, optionally unsaturated alkyl of 1 to 8 carbon atoms and acyl of an organic carboxylic acid of 2 to 18 carbon atoms, R14 is selected from the group consisting of hydrogen and alkyl of 1 to 8 carbon atoms, R15 is selected from the group consisting of alkyl of 1 to 8 carbon atoms and aryl of 6 to 14 carbon atoms optionally substituted with an alkyl of 1 to 8 carbon atoms, R16 is aryl of 6 to 14 carbon atoms optionally substituted with a member of the group consisting of alkyl of 1 to 8 carbon atoms, halogen and --NO2, the substituents of Ar being able to form rings containing at least one heteroatom selected from the group consisting of oxygen, nitrogen and sulfur and their non-toxic agriculturally acceptable acid addition salts with the proviso Ar is not phenyl nor phenyl with one methyl in the 2,3 or 4 position, a nitro in the 2- or 4-position, a chlorine in the 3- or 4-position, a bromine in the 4-position or a --CF3 in the 4-position nor 2,4-dinitrophenyl nor 2-nitro-4-trifluoromethylphenyl nor 2,6-dinitrophenyl nor 2,4,6-trinitrophenyl nor 2,4-dinitro-6-trifluoromethylphenyl useful for increasing vegetation growth and increasing crop yields and their preparation.

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