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2-Bromo-4-chloro-6-fluorophenol - 97%, high purity , CAS No.886499-88-3

COA

Grade & Purity:

≥97%

Cas Number: 886499-88-3
Molecular Weight: 225.45
MDL number: MFCD04115955
PubChem CID: 3838744
PubChem SID: 504762760

In stock

Item Number

B136065

Grouped product items
SKU	Size	Availability	Price
B136065-1g	1g	3	$60.90
B136065-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$274.90
B136065-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,233.90

Basic Description

Synonyms	VGDYUSDMWUDGAB-UHFFFAOYSA-N \| EN300-2163608 \| MFCD04115955 \| SCHEMBL1163160 \| AM62595 \| 2-Bromo-4-chloro -6-fluorophenol \| AKOS015956843 \| 2-bromanyl-4-chloranyl-6-fluoranyl-phenol \| DTXSID60397140 \| A842814 \| FT-0740892 \| AS-10261 \| CS-W013041 \| 2-bromo-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Halophenols
      - Level5 Chlorophenols
        Level6 P-chlorophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Chlorophenols
Direct Parent	P-chlorophenols
Alternative Parents	O-fluorophenols O-bromophenols Fluorobenzenes Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Organooxygen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-chlorophenol - 2-bromophenol - 2-fluorophenol - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
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

Pubchem Sid	504762760
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762760
IUPAC Name	2-bromo-4-chloro-6-fluorophenol
INCHI	InChI=1S/C6H3BrClFO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
InChIKey	VGDYUSDMWUDGAB-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1F)O)Br)Cl
Isomeric SMILES	C1=C(C=C(C(=C1F)O)Br)Cl
Molecular Weight	225.45
Reaxy-Rn	21194427
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21194427&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
H1619064	Certificate of Analysis	Feb 05, 2024	B136065

Chemical and Physical Properties

Molecular Weight	225.440 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	223.904 Da
Monoisotopic Mass	223.904 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124.000
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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