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2-bromo-1-(difluoromethoxy)-3-fluorobenzene - 97%, high purity , CAS No.1239492-22-8

COA

Grade & Purity:

≥97%

Cas Number: 1239492-22-8
Molecular Weight: 241.01
PubChem CID: 58553359

In stock

Item Number

B627647

Grouped product items
SKU	Size	Availability	Price
B627647-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
B627647-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
B627647-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
B627647-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$451.90

Basic Description

Synonyms	2-Bromo-1-(difluoromethoxy)-3-fluorobenzene \| 1239492-22-8 \| 2-Bromo-1-(difluoromethoxy)-3-fluoro-benzene \| MFCD18390895 \| SCHEMBL16502595 \| TQU0300 \| BBL102126 \| CL9257 \| STL555925 \| AKOS016016362 \| 2-Bromo-3-(difluoromethoxy)fluorobenzene \| AS-46262 \| 2
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organooxygen compound - Organohalogen compound - Organobromide - Organofluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

IUPAC Name	2-bromo-1-(difluoromethoxy)-3-fluorobenzene
INCHI	InChI=1S/C7H4BrF3O/c8-6-4(9)2-1-3-5(6)12-7(10)11/h1-3,7H
InChIKey	LTSAMTLMVHEJLB-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)Br)OC(F)F
Isomeric SMILES	C1=CC(=C(C(=C1)F)Br)OC(F)F
PubChem CID	58553359
Molecular Weight	241.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.000 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	239.94 Da
Monoisotopic Mass	239.94 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145.000
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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