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2-Bromomethyl-1,4-benzodioxane - 97%, high purity , CAS No.2164-34-3

COA

Grade & Purity:

≥97%

Cas Number: 2164-34-3
Molecular Weight: 229.07
MDL number: MFCD00044831
PubChem CID: 98333
PubChem SID: 488187118

In stock

Item Number

B470628

Grouped product items
SKU	Size	Availability	Price
B470628-250mg	250mg	3	$47.90
B470628-1g	1g	3	$134.90
B470628-5g	5g	5	$500.90

Basic Description

Synonyms	93F1SP6QIN \| UNII-T2VR2E695H \| EN300-225890 \| 2-Bromomethyl-1,4-benzodioxane \| AS-40113 \| 3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine \| SCHEMBL243878 \| 2-bromomethylbenzo-1,4-dioxan \| B2349 \| 2-bromomethyl-(2,3 dihydrobenzo[1,4]dioxine) \| EINECS 218-503-
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodioxanes
    - Subclass Benzo-1,4-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodioxanes
Subclass	Benzo-1,4-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	Benzo-1,4-dioxanes
Alternative Parents	Alkyl aryl ethers Para dioxins Benzenoids Oxacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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	488187118
IUPAC Name	3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
INCHI	InChI=1S/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
InChIKey	QYLFKNVZIFTCIY-UHFFFAOYSA-N
Smiles	C1C(OC2=CC=CC=C2O1)CBr
Isomeric SMILES	C1C(OC2=CC=CC=C2O1)CBr
WGK Germany	3
Molecular Weight	229.07
Reaxy-Rn	150154
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150154&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2308228	Certificate of Analysis	May 05, 2023	B470628
F2308119	Certificate of Analysis	May 05, 2023	B470628
F2308260	Certificate of Analysis	May 05, 2023	B470628
F2308123	Certificate of Analysis	May 05, 2023	B470628
F2308231	Certificate of Analysis	May 05, 2023	B470628
F2308261	Certificate of Analysis	May 05, 2023	B470628

Chemical and Physical Properties

Refractive Index	1.57
Boil Point(°C)	143-146°/8mm
Molecular Weight	229.070 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.979 Da
Monoisotopic Mass	227.979 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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