Skip to the beginning of the images gallery

3-Methoxybenzyl bromide - 98%, high purity , CAS No.874-98-6

COA

Grade & Purity:

≥98%

Cas Number: 874-98-6
Molecular Weight: 201.06
MDL number: MFCD00216590
PubChem CID: 4067207
PubChem SID: 504762825

In stock

Item Number

M299353

Grouped product items
SKU	Size	Availability	Price
M299353-1g	1g	3	$52.90
M299353-5g	5g	1	$158.90
M299353-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$653.90
M299353-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,820.90

Basic Description

Synonyms	3-Methoxybenzyl bromide \| 874-98-6 \| 1-(bromomethyl)-3-methoxybenzene \| 3-Methoxybenzylbromide \| Benzene, 1-(bromomethyl)-3-methoxy- \| 3-methoxybenzylbromid \| 1-Bromomethyl-3-methoxybenzene \| m-Methoxybenzyl bromide \| 1-bromomethyl-3-methoxy-benzene \| 3-methoxy benzylbromi
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3-Methoxybenzyl bromide is a benzyl bromide derivative.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyl halides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Benzyl bromide - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

Pubchem Sid	504762825
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762825
IUPAC Name	1-(bromomethyl)-3-methoxybenzene
INCHI	InChI=1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChIKey	ZKSOJQDNSNJIQW-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1)CBr
Isomeric SMILES	COC1=CC=CC(=C1)CBr
UN Number	3265
Packing Group	II
Molecular Weight	201.06
Reaxy-Rn	636716
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636716&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
A2206790	Certificate of Analysis	Oct 11, 2023	M299353
L2416650	Certificate of Analysis	Oct 11, 2023	M299353
A2206843	Certificate of Analysis	Oct 11, 2023	M299353
A2206810	Certificate of Analysis	Oct 11, 2023	M299353
C2005033	Certificate of Analysis	Sep 06, 2023	M299353
K2111479	Certificate of Analysis	Aug 02, 2023	M299353

Chemical and Physical Properties

Refractive Index	1.575
Flash Point(°C)	113°C
Boil Point(°C)	152°C
Molecular Weight	201.060 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	199.984 Da
Monoisotopic Mass	199.984 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.300
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration