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5-Bromo-2-chloro-1-fluoro-3-methoxybenzene - 97%, high purity , CAS No.1261216-28-7

COA

Grade & Purity:

≥97%

Cas Number: 1261216-28-7
Molecular Weight: 239.47
PubChem CID: 66848966

In stock

Item Number

B586845

Grouped product items
SKU	Size	Availability	Price
B586845-100mg	100mg	3	$16.90
B586845-250mg	250mg	3	$36.90
B586845-1g	1g	3	$129.90
B586845-5g	5g	3	$580.90
B586845-25g	25g	2	$2,608.90

Basic Description

Synonyms	Benzene, 5-bromo-2-chloro-1-fluoro-3-methoxy- \| 5-bromo-2-chloro-1-fluoro-3-methoxybenzene \| AKOS024108458 \| SCHEMBL935576 \| DTXSID401268407 \| MFCD28142798 \| 1261216-28-7 \| DS-9455
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Fluorobenzenes Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Aryl bromides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	5-bromo-2-chloro-1-fluoro-3-methoxybenzene
INCHI	InChI=1S/C7H5BrClFO/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3H,1H3
InChIKey	LWXJTVPIAGWACZ-UHFFFAOYSA-N
Smiles	COC1=C(C(=CC(=C1)Br)F)Cl
Isomeric SMILES	COC1=C(C(=CC(=C1)Br)F)Cl
Molecular Weight	239.47
Reaxy-Rn	29811963
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29811963&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
H2323241	Certificate of Analysis	Aug 03, 2023	B586845
H2323098	Certificate of Analysis	Aug 03, 2023	B586845
H2323276	Certificate of Analysis	Aug 03, 2023	B586845
H2323253	Certificate of Analysis	Aug 03, 2023	B586845
H2323271	Certificate of Analysis	Aug 03, 2023	B586845

Chemical and Physical Properties

Molecular Weight	239.470 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	237.92 Da
Monoisotopic Mass	237.92 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136.000
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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