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2-Bromo-4-methoxy-1-(trifluoromethoxy)benzene - 98%, high purity , CAS No.1049730-91-7

COA

Grade & Purity:

≥98%

Cas Number: 1049730-91-7
Molecular Weight: 271.03
PubChem CID: 57582328

In stock

Item Number

B189501

Grouped product items
SKU	Size	Availability	Price	Qty
B189501-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
B189501-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90

Discover 2-Bromo-4-methoxy-1-(trifluoromethoxy)benzene by Aladdin Scientific in 98% for only $41.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Bromo-4-methoxy-1-(trifluoromethoxy)benzene \| 1049730-91-7 \| 3-bromo-4-trifluoromethoxyanisole \| 3-Bromo-4-(trifluoromethoxy)anisole \| MFCD20485915 \| 2-Bromo-4-methoxy-1-trifluoromethoxy-benzene \| SCHEMBL263498 \| DTXSID00727205 \| BCP14100 \| ZRB73091 \| CL8600 \| AKOS015999912 \|
Specifications & Purity	≥98%
Shipped In	Normal

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 Bromobenzenes Alkyl aryl ethers Aryl bromides Trihalomethanes Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Trihalomethane - Ether - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - 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	2-bromo-4-methoxy-1-(trifluoromethoxy)benzene
INCHI	InChI=1S/C8H6BrF3O2/c1-13-5-2-3-7(6(9)4-5)14-8(10,11)12/h2-4H,1H3
InChIKey	MWWJZKUPSAEIOT-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)OC(F)(F)F)Br
Isomeric SMILES	COC1=CC(=C(C=C1)OC(F)(F)F)Br
Molecular Weight	271.03
Reaxy-Rn	18660167
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18660167&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	271.030 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	269.95 Da
Monoisotopic Mass	269.95 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186.000
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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