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4-Amino-3-Chloro-Benzoic Acid Ethyl Ester is a specialized chemical compound characterized by the presence of an amino group, a chloro group, a carboxylic acid ester group, and a benzene ring. This unique combination of functional groups suggests its potential use in a variety of chemical reactions and synthesis processes. Given its specific configuration, it may act as an intermediate in the preparation of more complex compounds, such as pharmaceuticals and other chemical-based products. The synthesis and handling of this compound necessitate stringent laboratory conditions and protocols due to its reactive nature and potential hazards. As with all such substances, it is imperative to adhere to proper safety precautions when working with 4-Amino-3-Chloro-Benzoic Acid Ethyl Ester.

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  • 82765-44-4 Structure
  • Basic information

    1. Product Name: 4-AMINO-3-CHLORO-BENZOIC ACID ETHYL ESTER
    2. Synonyms: 4-AMINO-3-CHLORO-BENZOIC ACID ETHYL ESTER;AKOS BB-3099;ethyl 4-amino-3-chlorobenzoate(SALTDATA: FREE);Benzoic acid, 4-aMino-3-chloro-, ethyl ester
    3. CAS NO:82765-44-4
    4. Molecular Formula: C9H10ClNO2
    5. Molecular Weight: 199.63
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 82765-44-4.mol
  • Chemical Properties

    1. Melting Point: 83-84°C
    2. Boiling Point: 333 °C at 760 mmHg
    3. Flash Point: 155.2 °C
    4. Appearance: /
    5. Density: 1.262 g/cm3
    6. Vapor Pressure: 0.000141mmHg at 25°C
    7. Refractive Index: 1.569
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-AMINO-3-CHLORO-BENZOIC ACID ETHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-AMINO-3-CHLORO-BENZOIC ACID ETHYL ESTER(82765-44-4)
    12. EPA Substance Registry System: 4-AMINO-3-CHLORO-BENZOIC ACID ETHYL ESTER(82765-44-4)
  • 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: 82765-44-4(Hazardous Substances Data)

82765-44-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Amino-3-Chloro-Benzoic Acid Ethyl Ester is used as a chemical intermediate for the synthesis of complex pharmaceutical compounds. Its unique functional groups facilitate the creation of new drug molecules, potentially leading to the development of novel therapeutic agents.
Used in Chemical Synthesis:
In the field of chemical synthesis, 4-Amino-3-Chloro-Benzoic Acid Ethyl Ester is used as a building block for the preparation of more intricate chemical structures. Its versatility in reacting with other compounds makes it a valuable component in the synthesis of various chemical products.
Used in Research and Development:
4-Amino-3-Chloro-Benzoic Acid Ethyl Ester is utilized in research and development settings as a subject of study for understanding its reactivity, potential applications, and the development of new methodologies for its synthesis and use. This can lead to advancements in both academic and industrial chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 82765-44-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,2,7,6 and 5 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 82765-44:
(7*8)+(6*2)+(5*7)+(4*6)+(3*5)+(2*4)+(1*4)=154
154 % 10 = 4
So 82765-44-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3

82765-44-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-amino-3-chlorobenzoate

1.2 Other means of identification

Product number -
Other names 4-amino-3-chloro-benzoic acid ethyl ester

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:82765-44-4 SDS

82765-44-4Relevant articles and documents

RETINOID COMPOUND AND PHARMACEUTICAL COMPOSITION

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Paragraph 0045-0049, (2020/04/17)

PROBLEM TO BE SOLVED: To provide a novel retinoid compound that is low in teratogenicity, and a pharmaceutical composition containing said retinoid compound. SOLUTION: Provided are a retinoid compound which is a compound represented by the following formula (1) or a salt thereof, and a pharmaceutical composition containing said retinoid compound. In the formula, R1 represents a halogen atom, and R2 and R3 each independently represent a silyl group. SELECTED DRAWING: None COPYRIGHT: (C)2020,JPOandINPIT

Design, synthesis and anticancer biological evaluation of novel 1,4-diaryl-1,2,3-triazole retinoid analogues of tamibarotene (AM80)

Aleixo, Mariana A. A.,Garcia, Taís M.,Carvalho, Diego B.,Viana, Luiz H.,Amaral, Marcos S.,Kassab, Najla M.,Cunha, Marilin C.,Pereira, Indiara C.,Guerrero, Palimécio G,Perdomo, Renata T.,Matos, Maria F. C.,Baroni, Adriano C. M.

, p. 109 - 124 (2017/12/08)

We report herein the design and synthesis via click chemistry of twelve novel triazole retinoid analogues of tamibarotene (AM80) and the evaluation of their anticancer activities against six cancer cell lines: HL60, K562, 786, HT29, MCF7 and PC3. Among the synthesized compounds, two were more potent than tamibarotene against solid tumor cells, and one of them had similar potency to tamibarotene against HL60 cells. The bioisosteric exchange between the amide group and the 1,2,3-triazole core in the retinoid agent tamibarotene (AM80) reported in this work is a valid strategy for the generation of useful compounds against cancer.

Preparation of fully substituted anilines for the synthesis of functionalized indoles

Stoll, Armin H.,Knochel, Paul

, p. 113 - 116 (2008/04/12)

A wide range of highly functionalized indoles were prepared by the successive magnesiation of readily available o-alkynyl protected anilines using TMPMgCl·LiCl or LDA, followed by a KH-mediated cyclization reaction.

Drug evolution concept in drug design: 1. Hybridization method

Lazar, Carmen,Kluczyk, Alicja,Kiyota, Taira,Konishi, Yasuo

, p. 6973 - 6982 (2007/10/03)

A novel concept, "drug evolution", is proposed to develop chemical libraries that have a high probability of finding drugs or drug candidates. It converts biological evolution into chemical evolution. In this paper, we present "hybridization" drug evolution, which is the equivalent of sexual recombination of parental genomes in biological evolution. The hybridization essentially shuffles the building blocks of the parent drugs and ought to drug(s); no drug evolution can otherwise occur. We hybridized two drugs, benzocaine and metoclopramide and generated 16 molecules that include the parent drugs, four known drugs, and two molecules whose therapeutic activities are reported. The unusually high number of drugs and drug candidates in the library encourages high expectations of finding new drug(s) or drug candidate(s) within the remaining eight compounds. Interestingly, the therapeutic applications of the eight drugs or drug candidates in the library are fairly diverse as 38 therapeutic applications and 25 molecular targets are counted. Therefore, the library fits as a general chemical library for unspecified therapeutic activities. The hybridization of other two drugs, aspirin and cresotamide, is also described to demonstrate the generality of the method.

Compositions and use of benzamides and nicotinamides as anti-inflammatory agents

-

, (2008/06/13)

The use of benzamide and nicotinamide analogs, in particular N-substituted benzamides and nicotinamides, other than benzamides with N-pyridinyl substitutions, as anti-inflammatory agents.

Heterocyclic pesticidal compounds

-

, (2008/06/13)

Compounds of the formula (I) STR1 which contain between 10 and 27 carbon atoms, and wherein m and n are independently selected from 0, 1 and 2; R2a is hydrogen, methyl, or ethyl; R2b is acetylene or contains between 3 and 18 carbon atoms and is a group R7, wherein R7 is a C1-13 non-aromatic hydrocarbyl group, optionally substituted by a cyano or C1-4 carbalkoxy group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R8 which are the same or different and each contain one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R2b is a 6-membered aromatic ring substituted by cyano and/or by one to three groups R8 and/or by a group --C CH, --C C-R7 or C C-halo and/or by one to five halo atoms and/or by one to three C1-4 haloalkyl groups wherein R7 and R8 are as hereinbefore defined; R4 and R6 are the same or different and are chosen from hydrogen, methyl, trifluoromethyl or cyano; and R5 is hydrogen or methyl provided that R2b is not propyl or butyl are described which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the control of pests and method for their preparation are also disclosed.

Tricyclic diazepine vasopressin antagonists and oxytocin antagonists

-

, (2008/06/13)

Tricyclic diazepines of the formula: STR1 wherein A, B, D, E, F, Y and Z are defined in the specification which compounds have vasopressin and oxytocin antagonist activity.

Succinimido azo dyestuffs

-

, (2008/06/13)

The invention relates to water-insoluble azo dyestuffs of the formula SPC1 In which A represents the residue of a diazo component of the azobenzene series, R1 a hydrogen atom or an alkyl group which may be substituted which may be substituted, R2 an alkyl group which may be substituted, R3 represents a divalent organic residue which together with the grouping EQU1 may form a 5- to 7-membered heterocycle, and X represents a hydrogen atom or an alkyl, alkoxy, aryloxy or arylmercapto group. The dyestuffs dye polyester fibre in orange, red or blue shades with good fastness: the use of such succinimido containing azo dyestuffs in imparting blue to red color to fibers or fabrics of wool, cellulose triacetate, polyamides and polyesters. The dyeings display excellent fastness to light, sublimation and abrasion on polyester fibers.

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