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2,6-Dibromo-4-(trifluoromethylsulfonyl)toluene - 98%, high purity , CAS No.1150271-31-0

COA

Grade & Purity:

≥98%

Cas Number: 1150271-31-0
Molecular Weight: 382
PubChem CID: 46739460

In stock

Item Number

D179655

Grouped product items
SKU	Size	Availability	Price	Qty
D179655-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$235.90
D179655-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$707.90

Discover 2,6-Dibromo-4-(trifluoromethylsulfonyl)toluene by Aladdin Scientific in 98% for only $235.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1150271-31-0 \| 2,6-DIBROMO-4-(TRIFLUOROMETHYLSULFONYL)TOLUENE \| 1,3-Dibromo-2-methyl-5-((trifluoromethyl)sulfonyl)benzene \| 1,3-dibromo-2-methyl-5-(trifluoromethylsulfonyl)benzene \| DTXSID50675065 \| 1,3-Dibromo-2-methyl-5-((trifluoromethyl)-sulfonyl)benzene \| MFCD120
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 Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Toluenes Bromobenzenes Aryl bromides Sulfones Trihalomethanes Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Sulfonyl - Sulfone - Trihalomethane - Alkyl fluoride - Organosulfur compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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	1,3-dibromo-2-methyl-5-(trifluoromethylsulfonyl)benzene
INCHI	InChI=1S/C8H5Br2F3O2S/c1-4-6(9)2-5(3-7(4)10)16(14,15)8(11,12)13/h2-3H,1H3
InChIKey	QDGQQIQWVGDVAJ-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1Br)S(=O)(=O)C(F)(F)F)Br
Isomeric SMILES	CC1=C(C=C(C=C1Br)S(=O)(=O)C(F)(F)F)Br
PubChem CID	46739460
Molecular Weight	382

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	381.990 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	381.831 Da
Monoisotopic Mass	379.833 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	337.000
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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