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Benzyl 4-bromobutyl ether - 95%, high purity , CAS No.60789-54-0

COA

Grade & Purity:

≥95%

Cas Number: 60789-54-0
Molecular Weight: 243.14
Beilstein Registry Number: 6(4)2231
MDL number: MFCD00155128
PubChem CID: 4422181
PubChem SID: 488194867

In stock

Item Number

B124385

Grouped product items
SKU	Size	Availability	Price
B124385-1g	1g	4	$41.90
B124385-5g	5g	3	$158.90
B124385-25g	25g	5	$545.90

View related series

ether (317) Non heterocyclic block (8163)

Basic Description

Synonyms	4-Bromobutyl phenylmethyl ether;4-Benzyloxy-1-bromobutane;4-bromobutoxymethylbenzene \| GS-5469 \| DTXSID10403129 \| Benzyl 4-bromobutyl ether, 90% \| AKOS009159006 \| AMY41827 \| ZQRVGYAMRJVUAK-UHFFFAOYSA-N \| (4-Bromobutoxymethyl)benzene \| (4-bromobutoxymethyl
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzylethers
Intermediate Tree Nodes	Not available
Direct Parent	Benzylethers
Alternative Parents	Dialkyl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylether - Ether - Dialkyl 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 benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
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	488194867
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194867
IUPAC Name	4-bromobutoxymethylbenzene
INCHI	InChI=1S/C11H15BrO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey	ZQRVGYAMRJVUAK-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COCCCCBr
Isomeric SMILES	C1=CC=C(C=C1)COCCCCBr
WGK Germany	3
Molecular Weight	243.14
Beilstein	6(4)2231
Reaxy-Rn	2519509
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2519509&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
B2304907	Certificate of Analysis	Dec 09, 2022	B124385
B2304807	Certificate of Analysis	Dec 09, 2022	B124385
B2304903	Certificate of Analysis	Dec 09, 2022	B124385

Chemical and Physical Properties

Refractive Index	1.529(lit.)
Boil Point(°C)	115°C/0.4mmHg
Molecular Weight	243.140 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	242.031 Da
Monoisotopic Mass	242.031 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	111.000
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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