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2-Bromo-5-chloro-p-xylene - ≥98%, high purity , CAS No.85072-44-2

COA

Grade & Purity:

≥98%

Cas Number: 85072-44-2
Molecular Weight: 219.5
PubChem CID: 18004187

In stock

Item Number

B729161

Grouped product items
SKU	Size	Availability	Price	Qty
B729161-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
B729161-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	p-Xylenes
Alternative Parents	Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-xylene - Halobenzene - Chlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
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-chloro-2,5-dimethylbenzene
INCHI	InChI=1S/C8H8BrCl/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3
InChIKey	SJEYWTLIMGCRGJ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1Br)C)Cl
Isomeric SMILES	CC1=CC(=C(C=C1Br)C)Cl
PubChem CID	18004187
Molecular Weight	219.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	219.500 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	217.95 Da
Monoisotopic Mass	217.95 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116.000
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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