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BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER is a chemical compound that serves as a methyl ester of 2-bromo-6-nitrobenzoic acid. It is recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and is valued for its potential as a building block in organic synthesis and as a reagent in chemical reactions. BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER's chemical properties and structure render it suitable for a variety of applications across different industries, including pharmaceuticals, agriculture, and research. However, due to potential hazards and risks, careful handling is advised.

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  • 135484-76-3 Structure
  • Basic information

    1. Product Name: BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER
    2. Synonyms: BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER;Methyl 2-broMo-6-nitrobenzoate;2-Bromo-6-nitro-benzoic acid methyl ester
    3. CAS NO:135484-76-3
    4. Molecular Formula: C8H6BrNO4
    5. Molecular Weight: 260.042
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 135484-76-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 306.427 °C at 760 mmHg
    3. Flash Point: 139.122 °C
    4. Appearance: /
    5. Density: 1.674 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER(135484-76-3)
    11. EPA Substance Registry System: BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER(135484-76-3)
  • 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: 135484-76-3(Hazardous Substances Data)

135484-76-3 Usage

Uses

Used in Pharmaceutical Industry:
BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical sector, BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER is utilized as an intermediate in the production of agrochemicals, playing a role in the creation of substances that can protect crops and enhance agricultural productivity.
Used in Research and Development:
BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER is employed as a building block in organic synthesis and as a reagent in chemical reactions within research and development, facilitating the exploration of new chemical compounds and processes.
Used in Organic Synthesis:
BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER is used as a building block in organic synthesis for its capacity to be incorporated into the structures of more complex organic molecules, contributing to the advancement of chemical knowledge and the creation of novel substances.

Check Digit Verification of cas no

The CAS Registry Mumber 135484-76-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,5,4,8 and 4 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 135484-76:
(8*1)+(7*3)+(6*5)+(5*4)+(4*8)+(3*4)+(2*7)+(1*6)=143
143 % 10 = 3
So 135484-76-3 is a valid CAS Registry Number.

135484-76-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-bromo-6-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 2-bromo-6-nitro-benzoic acid methyl 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:135484-76-3 SDS

135484-76-3Relevant articles and documents

Zn-Catalyzed Enantio- and Diastereoselective Formal [4 + 2] Cycloaddition Involving Two Electron-Deficient Partners: Asymmetric Synthesis of Piperidines from 1-Azadienes and Nitro-Alkenes

Chu, John C. K.,Dalton, Derek M.,Rovis, Tomislav

supporting information, p. 4445 - 4452 (2015/04/14)

We report a catalytic asymmetric synthesis of piperidines through [4 + 2] cycloaddition of 1-azadienes and nitro-alkenes. The reaction uses earth abundant Zn as catalyst and is highly diastereo- and regioselective. A novel BOPA ligand (F-BOPA) confers high reactivity and enantioselectivity in the process. The presence of ortho substitution on the arenes adjacent to the bis(oxazolines) was found to be particularly impactful, due to limiting the undesired coordination of 1-azadiene to the Lewis acid and thus allowing the reaction to be carried out at lower temperature. A series of secondary kinetic isotope effect studies using a range of ligands implicates a stepwise mechanism for the transformation, involving an initial Michael-type addition of the imine to the nitro-alkene followed by a cyclization event. The stepwise mechanism obviates the electronic requirement inherent to a concerted mechanism, explaining the successful cycloaddition between two electron-deficient partners. (Chemical Equation Presented).

A microwave-assisted alternative synthesis of 8-amino-2-methyl-3,4- dihydroisoquinolin-1-one

Glossop, Steve C.

, p. 981 - 983 (2008/02/02)

A shorter, alternative synthesis of 8-amino-2-methyl-3,4- dihydroisoquinolin-1-one is described in 32% overall yield, over three steps starting from commercially available 2-methyl-6-nitrobenzonitrile. The synthesis includes two 'one-pot' procedures in wh

PYRIMIDINE DERIVATIVES

-

Page/Page column 80; 81, (2008/06/13)

Novel pyrimidine derivatives of formula (I) to processes for their production, their use as pharmaceuticals and to pharmaceutical compositions comprising them.

Acid-catalysed Cyclisation of o-Sulphonamido Ketene Dithioacetal S-Oxides: A Novel Synthesis of the Indole Ring System

Hewson, Alan T.,Hughes, Kevin,Richardson, Steward K.,Sharpe, David A.,Wadsworth, Alan H.

, p. 1565 - 1569 (2007/10/02)

Treatment of o-sulphonamido aryl ketene dithioacetal S-oxides with hydrochloric acid in the presence of hydrogen sulphide gives 2-methylthioindoles.

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