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Methyl 3-(bromomethyl)-4-methoxybenzoate - 98%, high purity , CAS No.142031-88-7

COA

Grade & Purity:

≥98%

Cas Number: 142031-88-7
Molecular Weight: 259.1
PubChem CID: 23158763

In stock

Item Number

M190881

Grouped product items
SKU	Size	Availability	Price
M190881-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
M190881-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
M190881-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$713.90

Discover Methyl 3-(bromomethyl)-4-methoxybenzoate by Aladdin Scientific in 98% for only $23.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 3-(bromomethyl)-4-methoxybenzoate \| 142031-88-7 \| Benzoic acid, 3-(bromomethyl)-4-methoxy-, methyl ester \| MFCD14706047 \| Methyl 3-bromomethyl-4-methoxybenzoate \| Methyl3-(bromomethyl)-4-methoxybenzoate \| SCHEMBL854310 \| DTXSID90631105 \| LMGRAYHFYULRPI-UHFFFAOYSA-
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Methoxybenzoic acids and derivatives
        Level6 P-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	P-methoxybenzoic acids and derivatives
Alternative Parents	Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzyl bromides Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Benzyl bromide - Benzyl halide - Methoxybenzene - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
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

IUPAC Name	methyl 3-(bromomethyl)-4-methoxybenzoate
INCHI	InChI=1S/C10H11BrO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,6H2,1-2H3
InChIKey	LMGRAYHFYULRPI-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C(=O)OC)CBr
Isomeric SMILES	COC1=C(C=C(C=C1)C(=O)OC)CBr
Molecular Weight	259.1
Reaxy-Rn	11434873
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11434873&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	259.100 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.989 Da
Monoisotopic Mass	257.989 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196.000
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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