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METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE, a chemical compound with the molecular formula C8H6ClNO5, is a derivative of benzoic acid. It features a benzene ring with a chlorine atom, a hydroxyl group, and a nitro group attached to it. METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE is known for its potential applications in various fields, including pharmaceuticals, agrochemicals, and organic synthesis.

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  • 5043-79-8 Structure
  • Basic information

    1. Product Name: METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE
    2. Synonyms: METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE;benzoic acid, 5-chloro-2-hydroxy-3-nitro-, Methyl ester;5-chloro-2-hydroxy-3-nitrobenzoic acid methyl ester;5-chloro-2-hydroxy-3-nitro-benzoic acid methyl ester
    3. CAS NO:5043-79-8
    4. Molecular Formula: C8H6ClNO5
    5. Molecular Weight: 231.58994
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5043-79-8.mol
  • Chemical Properties

    1. Melting Point: 108-110 °C
    2. Boiling Point: 293.9°Cat760mmHg
    3. Flash Point: 131.5°C
    4. Appearance: /
    5. Density: 1.548g/cm3
    6. Vapor Pressure: 0.000957mmHg at 25°C
    7. Refractive Index: 1.602
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 6.06±0.38(Predicted)
    11. CAS DataBase Reference: METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE(5043-79-8)
    13. EPA Substance Registry System: METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE(5043-79-8)
  • 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: 5043-79-8(Hazardous Substances Data)

5043-79-8 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE is used as an intermediate in the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medical treatments.
Used in Agrochemical Industry:
In the agrochemical industry, METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE serves as an intermediate in the production of agrochemicals. Its properties make it suitable for the development of new pesticides and other agricultural chemicals, enhancing crop protection and yield.
Used in Organic Synthesis:
METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE is utilized as a building block in organic synthesis. Its versatile structure allows it to be incorporated into a wide range of organic compounds, facilitating the creation of new molecules with various applications.
Used in Chemical Research:
As a reagent in chemical research, METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE aids in the investigation of chemical reactions and mechanisms. Its unique properties make it a valuable tool for understanding and advancing the field of chemistry.
Used in Medical Research and Drug Development:
METHYL 5-CHLORO-2-HYDROXY-3-NITROBENZOATE may possess potential biological activities and pharmacological properties. Its exploration in medical research and drug development could lead to the discovery of new therapeutic agents and contribute to the improvement of human health.

Check Digit Verification of cas no

The CAS Registry Mumber 5043-79-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,4 and 3 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 5043-79:
(6*5)+(5*0)+(4*4)+(3*3)+(2*7)+(1*9)=78
78 % 10 = 8
So 5043-79-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H6ClNO5/c1-15-8(12)5-2-4(9)3-6(7(5)11)10(13)14/h2-3,11H,1H3

5043-79-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 5-chloro-2-hydroxy-3-nitrobenzoate

1.2 Other means of identification

Product number -
Other names methyl 5-chloro-2-hydroxy-3-nitrobenzoate

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:5043-79-8 SDS

5043-79-8Relevant articles and documents

Novel preparation method of azasetron hydrochloride

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Paragraph 0028; 0043-0044, (2019/12/25)

The invention provides a novel preparation method of azasetron hydrochloride, belonging to the technical field of medicine synthesis. According to the method, methyl 5-chlorosalicylate is used as a raw material; after acetic anhydride nitrification and stannous chloride reduction at room temperature, dimethyl carbonate is used as a methylation reagent, and an intermediate V (6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid methyl ester) is synthesized by adopting a one-pot method; the intermediate V is hydrolyzed to obtain 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-formic acid (VI); and the compound reacts with free 3-aminoquinuclidine dihydrochloride for 1 h under the catalysis of TBTU to form a salt so as to obtain I (azasetron hydrochloride). According to the method, the yield of each step is high; aftertreatment is simple; the reaction time of each step is short; conditions are mild; low-toxicity environment-friendly reagents are adopted; energy consumption is reduced; cost is saved; and industrial production is better facilitated.

AMINO PYRAZOLONE DERIVATIVE HAVING CONDENSED RING STRUCTURE

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Paragraph 0245; 0246; 0247, (2016/10/08)

PROBLEM TO BE SOLVED: To provide a compound that has excellent inhibitory action on ATPase activity of TIP48/TIP49 complex and is therefore useful for the treatment of tumor, or a pharmacologically acceptable salt thereof. SOLUTION: The present invention provides a compound having a structure represented by general formula (I), its pharmacologically acceptable salt, or a pharmaceutical composition comprising the compound (where R3, R4, R5, R6, R7, W, X, Y, and Z are as defined in the specifications). SELECTED DRAWING: None COPYRIGHT: (C)2016,JPOandINPIT

BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120

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Paragraph 0944, (2014/09/30)

The present invention is directed to benzo-fused heterocyclic derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by GPR120. More particularly, the compounds of the present invention are agonists of GPR120, useful in the treatment of, such as for example, Type II diabetes mellitus.

CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY

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Page/Page column 35, (2010/11/28)

To provide a compound having an excellent inhibitory effect on vanilloid receptor subtype 1 (VR1) activity which is effective in treating diseases to which the vanilloid receptor subtype 1 (VR1) activity is involved, such as pain, acute pain, chronic pain

Synthesis and pharmacology of 3,4-dihydro-3-oxo-1,4-benzoxazine-8-carboxamide derivatives, a new class of potent serotonin-3 (5-HT3) receptor antagonists

Kawakita,Kuroita,Yasumoto,Sano,Inaba,Fukuda,Tahara

, p. 624 - 630 (2007/10/02)

A series of 3,4-dihydro-3-oxo-1,4-benzoxazine-8-carboxamide derivatives was synthesized and evaluated for serotonin-3 (5-HT3) receptor antagonistic activity assessed by their ability to antagonize the von Bezold-Jarish (BJ) effect in rats. Derivatives bearing 1-azabicyclo[2.2.2]oct-3-yl moiety as a basic function attached to the carboxamide at position 8 showed more potent antagonistic activity than those bearing the other three basic moieties. Structure activity relationships of this series showed that methyl and chloro groups were more effective as substituents at positions 4 and 6, respectively. The representative compound 15 (Y-25130) in this series showed potent antagonistic activity on the BJ effect (ED50 = 1.3 μg/kg i.v.), high affinity for 5-HT3 receptor (K(i) = 2.9 nM) and complete protection against cisplatin-induced emesis in dogs at a dose of 0.1 mg/kg i.v.

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