Skip to the beginning of the images gallery

1-Bromo-4-(butylsulfinylmethyl)benzene - 98%, high purity , CAS No.1280786-57-3

COA

Grade & Purity:

≥98%

Cas Number: 1280786-57-3
Molecular Weight: 275.2
PubChem CID: 53217079

In stock

Item Number

B180983

Grouped product items
SKU	Size	Availability	Price	Qty
B180983-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,299.90
B180983-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,885.90

Discover 1-Bromo-4-(butylsulfinylmethyl)benzene by Aladdin Scientific in 98% for only $1,299.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1280786-57-3 \| 1-Bromo-4-(butylsulfinylmethyl)benzene \| 1-Bromo-4-((butylsulfinyl)methyl)benzene \| DTXSID80682186 \| MFCD18434449 \| AKOS015888459 \| BS-20575 \| CS-0444179 \| Benzene, 1-bromo-4-[(butylsulfinyl)methyl]- \| A921456 \| 1-BROMO-4-[(BUTANE-1-SULFINYL)METHYL]BENZENE
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl sulfoxides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl alkyl sulfoxides
Alternative Parents	Bromobenzenes Aryl bromides Sulfoxides Sulfinyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl alkyl sulfoxide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
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	1-bromo-4-(butylsulfinylmethyl)benzene
INCHI	InChI=1S/C11H15BrOS/c1-2-3-8-14(13)9-10-4-6-11(12)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKey	JWNSEDQFGZSOBQ-UHFFFAOYSA-N
Smiles	CCCCS(=O)CC1=CC=C(C=C1)Br
Isomeric SMILES	CCCCS(=O)CC1=CC=C(C=C1)Br
PubChem CID	53217079
Molecular Weight	275.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	275.210 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	274.003 Da
Monoisotopic Mass	274.003 Da
Topological Polar Surface Area	36.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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