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2-Benzyloxy-4-bromobenzotrifluoride - 96%, high purity , CAS No.1314987-55-7

COA

Grade & Purity:

≥96%

Cas Number: 1314987-55-7
Molecular Weight: 331.1
PubChem CID: 56776809

In stock

Item Number

B181134

Grouped product items
SKU	Size	Availability	Price	Qty
B181134-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,213.90
B181134-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,462.90

Discover 2-Benzyloxy-4-bromobenzotrifluoride by Aladdin Scientific in 96% for only $1,213.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-(Benzyloxy)-4-bromo-1-(trifluoromethyl)benzene \| 1314987-55-7 \| 2-Benzyloxy-4-bromobenzotrifluoride \| 4-bromo-2-phenylmethoxy-1-(trifluoromethyl)benzene \| DTXSID60718412 \| MFCD19684126 \| AKOS015888957 \| BS-20549 \| A888430 \| Benzene, 4-bromo-2-(phenylmethoxy)-1-(trifluoro
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Organobromide - Organofluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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-2-phenylmethoxy-1-(trifluoromethyl)benzene
INCHI	InChI=1S/C14H10BrF3O/c15-11-6-7-12(14(16,17)18)13(8-11)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey	CXZBDQXKMPHRCW-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)C(F)(F)F
Isomeric SMILES	C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)C(F)(F)F
Molecular Weight	331.1
Reaxy-Rn	62533873
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62533873&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	331.130 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	329.987 Da
Monoisotopic Mass	329.987 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	276.000
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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