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3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID is an aromatic amide chemical compound that features a chloroacetyl group attached to an amino group on a benzene ring. It is recognized for its potential applications in pharmaceuticals and organic synthesis, serving as a building block or intermediate in the creation of various pharmaceutical compounds and other useful organic reactions.

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  • 28547-08-2 Structure
  • Basic information

    1. Product Name: 3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID
    2. Synonyms: Benzoic acid,3-[(2-chloroacetyl)aMino]-
    3. CAS NO:28547-08-2
    4. Molecular Formula: C9H8ClNO3
    5. Molecular Weight: 213.62
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 28547-08-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 473°C at 760 mmHg
    3. Flash Point: 239.8°C
    4. Appearance: /
    5. Density: 1.458g/cm3
    6. Vapor Pressure: 9.44E-10mmHg at 25°C
    7. Refractive Index: 1.633
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID(28547-08-2)
    12. EPA Substance Registry System: 3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID(28547-08-2)
  • 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: 28547-08-2(Hazardous Substances Data)

28547-08-2 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID is used as a building block for the synthesis of pharmaceutical compounds due to its unique chemical structure that can be further modified to create new drugs with specific therapeutic properties.
Used in Organic Synthesis:
3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID is used as an intermediate in organic reactions, facilitating the formation of complex organic molecules that are valuable in various chemical and industrial applications.
Used in Drug Development:
3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID is utilized in drug development processes to explore its potential as a precursor for creating novel therapeutic agents, leveraging its reactivity and structural features to enhance medicinal chemistry efforts.

Check Digit Verification of cas no

The CAS Registry Mumber 28547-08-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,8,5,4 and 7 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 28547-08:
(7*2)+(6*8)+(5*5)+(4*4)+(3*7)+(2*0)+(1*8)=132
132 % 10 = 2
So 28547-08-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H8ClNO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)

28547-08-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-CHLORO-ACETYLAMINO)-BENZOIC ACID

1.2 Other means of identification

Product number -
Other names 3-<(chloroacetyl)amino>benzoic acid

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:28547-08-2 SDS

28547-08-2Relevant articles and documents

TRAP display: A high-speed selection method for the generation of functional polypeptides

Ishizawa, Takahiro,Kawakami, Takashi,Reid, Patrick C.,Murakami, Hiroshi

, p. 5433 - 5440 (2013)

Here, we describe a novel method that enables high-speed in vitro selection of functional peptides, peptidomimetics, and proteins via a simple procedure. We first developed a new cell-free translation system, the TRAP system (transcription-translation cou

Structure-based drug design, synthesis and screening of MmaA1 inhibitors as novel anti-TB agents

Veeravarapu, Hymavathi,Malkhed, Vasavi,Mustyala, Kiran Kumar,Vadija, Rajender,Malikanti, Ramesh,Vuruputuri, Uma,Muthyala, Murali Krishna Kumar

, p. 351 - 366 (2021)

Abstract: Tuberculosis is one of the leading causes of death across the world. The treatment regimens for tuberculosis are well established, but still the control of the disease faces many challenges such as lengthy treatment protocols, drug resistance an

Novel benzoic thiazolidin-4-one derivatives targeting DevR/DosR dormancy regulator of Mycobacterium tuberculosis

Gupta, Rajesh Kumar,Jain, Neha,Kumar, Amit,Sarkar, Anjana,Sharma, Deeksha,Sharma, Saurabh,Sinha, Niharika,Tyagi, Jaya Sivaswami

, (2022/01/14)

Latent tuberculosis infection is caused by Mycobacterium tuberculosis (Mtb) persistence and poses a significant challenge to the eradication of tuberculosis. The detection of Mtb DevR/DosR dormancy regulon expression in clinical specimens has provided evi

Design, synthesis and biological evaluation of 3-(2-(benzo[d]thiazol-2-ylthio)acetamido)benzoic acid derivatives as inhibitors of protein tyro-sine phosphatase 1b

Rakse, Monika,Karthikeyan, Chandrabose,Moorthy, Narayana Subbiah Hari Narayana,Agrawal, Ram Kishore

, p. 46 - 56 (2021/02/27)

Background: Protein Tyrosine Phosphatase 1B (PTP1B) is an attractive target for antidiabetic drug discovery owing to its pivotal role as a negative regulator of insulin and leptin signaling. Objective: The objective of this research is to design, synthesi

Synthesis and in vitro kinetic study of novel mono-pyridinium oximes as reactivators of organophosphorus (OP) inhibited human acetylcholinesterase (hAChE)

Valiveti, Aditya Kapil,Bhalerao, Uma M.,Acharya, Jyotiranjan,Karade, Hitendra N.,Gundapu, Raviraju,Halve, Anand K.,Kaushik, Mahabir Parshad

, p. 125 - 132 (2015/06/25)

A series of mono pyridinium oximes linked with arenylacetamides as side chains were synthesized and their in vitro reactivation potential was evaluated against human acetylcholinesterase (hAChE) inhibited by organophosphorus inhibitors (OP) such as sarin, VX and tabun. The reactivation data of the synthesized compounds were compared with those obtained with standard reactivators such as 2-PAM and obidoxime. The dissociation constant (KD) and specific reactivity (kr) of the oximes were also determined by performing reactivation kinetics against OP inhibited hAChE. Among the synthesized compounds, oximes 1-(2-(4-cyanophenylamino)-2-oxoethyl)-4-((hydroxyimino)methyl)pyridinium chloride (12a) and 4-((hydroxyimino)methyl)-1-(2-(4-methoxyphenylamino)-2-oxoethyl)pyridinium chloride (2a) were found most potent reactivators for hAChE inhibited by sarin. In case of VX inhibited hAChE majority of the oximes have shown good reactivation efficacies. Among these oximes 1-(2-(benzylamino)-2-oxoethyl)-4-((hydroxyimino)methyl)pyridinium chloride (18a), 4-((hydroxyimino)methyl)-1-(2-(4-(methoxycarbonyl)phenylamino)-2-oxoethyl)pyridinium-chloride (14a) and 12a were found to surpass the reactivation potential of 2-PAM and obidoxime. However, the synthesized oximes showed marginal reactivation efficacies in case of tabun inhibited hAChE. The pKa value of the oximes were determined and correlated with their observed reactivation potential.

Molecular modeling and synthesis of ZINC02765569 derivatives as protein tyrosine phosphatase 1B inhibitors: Lead optimization study

Joshi, Prashant,Deora, Girdhar Singh,Rathore, Vandana,Rawat, Arun K.,Srivastava,Jain, Deepti

, p. 1618 - 1623 (2013/07/26)

This article describes design, synthesis, and molecular modeling studies of the ZINC02765569 derivatives as potent protein tyrosine phosphatase 1B (PTP1B) inhibitors, which was previously reported as a vHTS hit (ZINC02765569) by our laboratory. Ten compou

Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics

-

Page/Page column 24; 27-28, (2011/10/31)

Small molecule choline kinase inhibitors having the following formula: are provided herein. Also provided herein are pharmaceutical compositions containing Formula I compounds, together with methods of treating cancer, methods of inhibiting choline kinase enzymatic activity, and methods of treating tumors by administering an effective amount of a Formula I compound.

Synthesis and biological studies of N-phenyl substituted 2-(-5-(pyridine-4-yl)-1,3,4-oxadiazole-2-yl thio)acetamides

Rao, M.E. Bhanoji,Rajurkar, Vikas G.

experimental part, p. 2648 - 2652 (2012/01/05)

As oxadiazole have proven to be good antimicrobial agents, Antitubercular, analgesic (peripheral and central) and antiinflammatory agents. A new series of oxadiazole derivatives were synthesized and characterized by 1H NMR, IR, GCMS sophisticated analytical instruments and were evaluated for their antimicrobial activity, antitubercular activity, toxicity as per standard guidelines, analgesic (peripheral and central) and antiinflammatory activity. Out of several derivatives synthesized a few of N-phenyl substituted 2-(5-(pyridine-4- yl)-1,3,4-oxadiazole-2-yl thio)acetamide explores good antimicrobial activity by using Cup-Plate method, antitubercular activity by middle brook 7H9 agar medium against H37Rv, analgesic activity by Writhing and Tail immersion method and antiinflammatory by rat paw edema method.

N-benzoyl>glycines as Mucolytic Agents

Martin, Tellis A.,Comer, William T.

, p. 910 - 914 (2007/10/02)

m- and p-aminobenzoic acids were converted to the title compounds by sequential use of ClCH2COCl, SOCl2, glycine methyl or ethyl ester, AcSK, and hydrolysis.The title compounds and a number of salts were compared for mucolytic activity, toxicity, stabilit

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