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4-Bromophenoxyacetaldehyde diethylacetal - 98%, high purity , CAS No.112598-18-2

COA

Grade & Purity:

≥98%

Cas Number: 112598-18-2
Molecular Weight: 289.2
PubChem CID: 2773839

In stock

Item Number

B179464

Grouped product items
SKU	Size	Availability	Price	Qty
B179464-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90
B179464-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$275.90

Discover 4-Bromophenoxyacetaldehyde diethylacetal by Aladdin Scientific in 98% for only $69.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-bromo-4-(2,2-diethoxyethoxy)benzene \| 112598-18-2 \| 4-Bromophenoxyacetaldehyde diethylacetal \| SCHEMBL2329778 \| DTXSID80378739 \| QTHRIWLHZBCGOJ-UHFFFAOYSA-N \| MFCD03411183 \| AKOS009159138 \| AS-9328 \| CS-0440964
Specifications & Purity	≥98%
Shipped In	Normal

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 Bromobenzenes Alkyl aryl ethers Aryl bromides Acetals Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Acetal - Organobromide - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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	1-bromo-4-(2,2-diethoxyethoxy)benzene
INCHI	InChI=1S/C12H17BrO3/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKey	QTHRIWLHZBCGOJ-UHFFFAOYSA-N
Smiles	CCOC(COC1=CC=C(C=C1)Br)OCC
Isomeric SMILES	CCOC(COC1=CC=C(C=C1)Br)OCC
Molecular Weight	289.2
Reaxy-Rn	5013788
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5013788&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	289.160 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	288.036 Da
Monoisotopic Mass	288.036 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	164.000
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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