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1-(2-Bromoethoxy)-3-methoxybenzene - 98%, high purity , CAS No.3245-45-2

COA

Grade & Purity:

≥98%

Cas Number: 3245-45-2
Molecular Weight: 231.1
PubChem CID: 2245429

In stock

Item Number

B183692

Grouped product items
SKU	Size	Availability	Price	Qty
B183692-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
B183692-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Basic Description

Synonyms	1-(2-bromoethoxy)-3-methoxybenzene \| 3245-45-2 \| 3-(2-Bromoethoxy)anisole \| MFCD00980056 \| 1-(2-Bromo-ethoxy)-3-methoxy-benzene \| SCHEMBL1770655 \| BTUZRSNUNBPIEN-UHFFFAOYSA- \| DTXSID70367172 \| BTUZRSNUNBPIEN-UHFFFAOYSA-N \| BBL029109 \| STL371976 \| AKOS000164149 \| EA-0844 \| SY081470
Specifications & Purity	≥98%
Storage Temp	Room temperature
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 Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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	1-(2-bromoethoxy)-3-methoxybenzene
INCHI	InChI=1S/C9H11BrO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6H2,1H3
InChIKey	BTUZRSNUNBPIEN-UHFFFAOYSA-N
Smiles	COC1=CC(=CC=C1)OCCBr
Isomeric SMILES	COC1=CC(=CC=C1)OCCBr
Molecular Weight	231.1
Reaxy-Rn	1866709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866709&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	231.090 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	229.994 Da
Monoisotopic Mass	229.994 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	119.000
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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