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1-Bromo-3-fluoro-5-(trifluoromethoxy)benzene - 98%, high purity , CAS No.1129541-09-8

COA

Grade & Purity:

≥98%

Cas Number: 1129541-09-8
Molecular Weight: 259
PubChem CID: 68770311
PubChem SID: 488202131

In stock

Item Number

B576134

Grouped product items
SKU	Size	Availability	Price
B576134-100mg	100mg	6	$49.90
B576134-250mg	250mg	6	$67.90
B576134-1g	1g	6	$179.90
B576134-5g	5g	5	$662.90

Basic Description

Synonyms	1-bromo-3-fluoro-5-(trifluoromethoxy)benzene \| 1129541-09-8 \| MFCD22551456 \| SCHEMBL3745580 \| YSQUMHZTWVFXKK-UHFFFAOYSA-N \| BBL103714 \| STL557524 \| AKOS016016367 \| MS-20685 \| SY343060 \| CS-0107113
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Trihalomethanes Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Trihalomethane - Organic oxygen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

Pubchem Sid	488202131
IUPAC Name	1-bromo-3-fluoro-5-(trifluoromethoxy)benzene
INCHI	InChI=1S/C7H3BrF4O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H
InChIKey	YSQUMHZTWVFXKK-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1F)Br)OC(F)(F)F
Isomeric SMILES	C1=C(C=C(C=C1F)Br)OC(F)(F)F
Molecular Weight	259
Reaxy-Rn	29812056
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29812056&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D23191315	Certificate of Analysis	Mar 15, 2023	B576134
D23191316	Certificate of Analysis	Mar 15, 2023	B576134
D23191320	Certificate of Analysis	Mar 15, 2023	B576134
D23191399	Certificate of Analysis	Mar 15, 2023	B576134
D23191317	Certificate of Analysis	Mar 15, 2023	B576134
D23191363	Certificate of Analysis	Mar 15, 2023	B576134
D23191397	Certificate of Analysis	Mar 15, 2023	B576134
D23191360	Certificate of Analysis	Mar 15, 2023	B576134

Chemical and Physical Properties

Molecular Weight	259.000 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	257.93 Da
Monoisotopic Mass	257.93 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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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