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5，5-Bis(bromomethyl)-2-phenyl-1，3-dioxane - ≥95%, high purity , CAS No.3733-29-7

COA

Grade & Purity:

≥95%

Cas Number: 3733-29-7
Molecular Weight: 350.05
PubChem CID: 21823070

In stock

Item Number

B730176

Grouped product items
SKU	Size	Availability	Price
B730176-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
B730176-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$287.90
B730176-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$574.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dioxanes
    - Subclass 1,3-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxanes
Subclass	1,3-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxanes
Alternative Parents	Benzene and substituted derivatives Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
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	5,5-bis(bromomethyl)-2-phenyl-1,3-dioxane
INCHI	InChI=1S/C12H14Br2O2/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey	VGUUZSMFETVOJZ-UHFFFAOYSA-N
Smiles	C1C(COC(O1)C2=CC=CC=C2)(CBr)CBr
Isomeric SMILES	C1C(COC(O1)C2=CC=CC=C2)(CBr)CBr
PubChem CID	21823070
Molecular Weight	350.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	350.050 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	349.934 Da
Monoisotopic Mass	347.936 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	203.000
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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