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4-Bromo-3-(trifluoromethoxy)phenol - 97%, high purity , CAS No.886499-93-0

COA

Grade & Purity:

≥97%

Cas Number: 886499-93-0
Molecular Weight: 257.006
PubChem CID: 17750743

In stock

Item Number

B590552

Grouped product items
SKU	Size	Availability	Price	Qty
B590552-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
B590552-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90

Basic Description

Synonyms	MFCD06660164 \| A861604 \| D74495 \| 4-bromo-3-[(trifluoromethyl)oxy]phenol \| SCHEMBL1978168 \| 4-Bromo-3-(trifluoromethoxy)phenol \| DS-14998 \| SY113309 \| AKOS015956920 \| DTXSID20590675 \| EN300-1266298
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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds P-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Trihalomethanes Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - 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	4-bromo-3-(trifluoromethoxy)phenol
INCHI	InChI=1S/C7H4BrF3O2/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3,12H
InChIKey	PGJZBAVEKVWHIO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1O)OC(F)(F)F)Br
Isomeric SMILES	C1=CC(=C(C=C1O)OC(F)(F)F)Br
Molecular Weight	257.006
Reaxy-Rn	21510961
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21510961&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	45-49°C
Molecular Weight	257.000 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	255.935 Da
Monoisotopic Mass	255.935 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174.000
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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