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3-Bromo-4-methoxyphenyl mesylate - 98%, high purity , CAS No.951885-46-4

COA

Grade & Purity:

≥98%

Cas Number: 951885-46-4
Molecular Weight: 281.1
PubChem CID: 26370242

In stock

Item Number

B188639

Grouped product items
SKU	Size	Availability	Price	Qty
B188639-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$207.90
B188639-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$770.90

Basic Description

Synonyms	951885-46-4 \| 3-Bromo-4-methoxyphenyl mesylate \| 3-bromo-4-methoxyphenyl methanesulfonate \| (3-bromo-4-methoxyphenyl) methanesulfonate \| DTXSID20650102 \| BNB88546 \| MFCD09801034 \| AKOS015852418 \| 3-Bromo-4-methoxyphenyl methylsulphonate \| BS-23063 \| 3-BROMO-4-METHOXYPHENYLME
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Sulfonic acid esters Organosulfonic acid esters Aryl bromides Sulfonyls Methanesulfonates Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Monocyclic benzene moiety - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Ether - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	(3-bromo-4-methoxyphenyl) methanesulfonate
INCHI	InChI=1S/C8H9BrO4S/c1-12-8-4-3-6(5-7(8)9)13-14(2,10)11/h3-5H,1-2H3
InChIKey	OKYUXDVBQAPOJE-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)OS(=O)(=O)C)Br
Isomeric SMILES	COC1=C(C=C(C=C1)OS(=O)(=O)C)Br
PubChem CID	26370242
Molecular Weight	281.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	281.130 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	279.94 Da
Monoisotopic Mass	279.94 Da
Topological Polar Surface Area	61.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	272.000
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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