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Methyl 2-bromo-3-nitrobenzoate - 97%, high purity , CAS No.5337-09-7

COA

Grade & Purity:

≥97%

Cas Number: 5337-09-7
Molecular Weight: 260.04
PubChem CID: 79263
PubChem SID: 488185705

In stock

Item Number

M193791

Grouped product items
SKU	Size	Availability	Price
M193791-1g	1g	3	$138.90
M193791-5g	5g	3	$609.90
M193791-25g	25g	1	$2,325.90

Discover Methyl 2-bromo-3-nitrobenzoate by Aladdin Scientific in 97% for only $138.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	NSC 409 \| AI3-16699 \| Benzoic acid, 2-bromo-3-nitro-, methyl ester \| AKOS005443148 \| FT-0651166 \| NSC409 \| NSC-409 \| AB1515 \| MFCD00087891 \| NSC10344 \| YUWPKYJCYRFBJT-UHFFFAOYSA-N \| AB03238 \| STK366097 \| 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	2-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Methyl esters Vinylogous halides Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organobromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488185705
IUPAC Name	methyl 2-bromo-3-nitrobenzoate
INCHI	InChI=1S/C8H6BrNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
InChIKey	YUWPKYJCYRFBJT-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br
Isomeric SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br
Molecular Weight	260.04
Reaxy-Rn	2505657
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2505657&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
D2020134	Certificate of Analysis	Feb 08, 2023	M193791

Chemical and Physical Properties

Molecular Weight	260.040 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	258.948 Da
Monoisotopic Mass	258.948 Da
Topological Polar Surface Area	72.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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