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Ethyl 2-bromo-5-nitrobenzoate is a chemical compound characterized by its molecular formula C9H8BrNO4. It is a yellow crystalline solid with a molecular weight of 264.07 g/mol. Ethyl 2-bromo-5-nitrobenzoate is recognized for its nitro and bromo functional groups, which contribute to its versatility as a building block in the synthesis of various organic compounds. It is commonly utilized as an intermediate in organic synthesis and pharmaceutical manufacturing processes, serving as a starting material for the creation of pharmaceuticals and agrochemicals.

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  • 208176-31-2 Structure
  • Basic information

    1. Product Name: Ethyl 2-broMo-5-nitrobenzoate
    2. Synonyms: Ethyl 2-broMo-5-nitrobenzoate;2-BroMo-5-nitrobenzoic acid ethyl ester
    3. CAS NO:208176-31-2
    4. Molecular Formula: C9H8BrNO4
    5. Molecular Weight: 274.06812
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 208176-31-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 339.3 °C at 760 mmHg
    3. Flash Point: 159 °C
    4. Appearance: /
    5. Density: 1.594
    6. Vapor Pressure: 9.27E-05mmHg at 25°C
    7. Refractive Index: 1.576
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: Ethyl 2-broMo-5-nitrobenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Ethyl 2-broMo-5-nitrobenzoate(208176-31-2)
    12. EPA Substance Registry System: Ethyl 2-broMo-5-nitrobenzoate(208176-31-2)
  • 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: 208176-31-2(Hazardous Substances Data)

208176-31-2 Usage

Uses

Used in Organic Synthesis:
Ethyl 2-bromo-5-nitrobenzoate is used as an intermediate in organic synthesis for its ability to facilitate the creation of a wide range of organic compounds. Its functional groups make it a valuable component in the development of new chemical entities.
Used in Pharmaceutical Manufacturing:
In the pharmaceutical industry, Ethyl 2-bromo-5-nitrobenzoate is used as a starting material for the synthesis of various pharmaceuticals. Its presence in the manufacturing process is crucial for the production of certain drugs, highlighting its importance in medicinal chemistry.
Used in Agrochemical Production:
Ethyl 2-bromo-5-nitrobenzoate also finds application in the agrochemical sector, where it serves as a starting material for the synthesis of agrochemicals. This underscores its utility in developing products that contribute to agricultural productivity and pest control.
Safety Considerations:
It is important to handle Ethyl 2-bromo-5-nitrobenzoate with care due to its harmful nature if swallowed, inhaled, or comes into contact with the skin. Proper safety measures should be implemented during its use to mitigate potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 208176-31-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,8,1,7 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 208176-31:
(8*2)+(7*0)+(6*8)+(5*1)+(4*7)+(3*6)+(2*3)+(1*1)=122
122 % 10 = 2
So 208176-31-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H8BrNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3

208176-31-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 2-bromo-5-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 2-bromo-5-nitro-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:208176-31-2 SDS

208176-31-2Relevant articles and documents

SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS

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Page/Page column 66, (2014/10/29)

The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

Impact of electronic modification of the chelating benzylidene ligand in cis-dichloro-configured second-generation olefin metathesis catalysts on their activity

Pump, Eva,Poater, Albert,Zirngast, Michaela,Torvisco, Ana,Fischer, Roland,Cavallo, Luigi,Slugovc, Christian

supporting information, p. 2806 - 2813 (2014/06/24)

A series of electronically modified second-generation cis-dichloro ruthenium ester chelating benzylidene complexes was prepared, characterized, and benchmarked in a typical ring-opening metathesis polymerization (ROMP) experiment. The electronic tuning of the parent chelating benzylidene ligand (2-ethyl ester benzylidene) was achieved by substitution at the 4- and 5-positions with electron-withdrawing nitro or electron-donating methoxy groups. The effect of the electronic tuning on the cis-trans isomerization process was studied experimentally and theoretically. Density functional theory calculations clearly revealed the influence of electronic modification on the relative stability between the cis and trans isomers, which is decisive for the activity of the studied compounds as initiators in ROMP.

Benzamidoaldehydes and their use as cysteine protease inhibitors

-

, (2008/06/13)

Compounds of the formula where R1, R2, R3, X and n are as defined in the description, are inhibitors of cysteine protease.

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