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3-Bromo-2，6-dichlorophenol - ≥97%, high purity , CAS No.116668-74-7

COA

Grade & Purity:

≥97%

Cas Number: 116668-74-7
Molecular Weight: 241.9
PubChem CID: 14963586

In stock

Item Number

B728169

Grouped product items
SKU	Size	Availability	Price
B728169-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90
B728169-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$378.90
B728169-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,069.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	O-chlorophenols M-bromophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1,3-dichlorobenzene - 3-halophenol - 2-halophenol - 3-bromophenol - 2-chlorophenol - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl bromide - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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-2,6-dichlorophenol
INCHI	InChI=1S/C6H3BrCl2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKey	CQLODYNDWGJUOO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1Cl)O)Cl)Br
Isomeric SMILES	C1=CC(=C(C(=C1Cl)O)Cl)Br
PubChem CID	14963586
Molecular Weight	241.9

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.890 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	239.874 Da
Monoisotopic Mass	239.874 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122.000
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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