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3-(Iodomethyl)-1,1-dimethoxycyclobutane - 95%, high purity , CAS No.1003013-83-9

COA

Grade & Purity:

≥95%

Cas Number: 1003013-83-9
Molecular Weight: 256.1
PubChem CID: 46942095

In stock

Item Number

I178680

Grouped product items
SKU	Size	Availability	Price
I178680-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90
I178680-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$858.90
I178680-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,861.90

Basic Description

Synonyms	3-(IODOMETHYL)-1,1-DIMETHOXYCYCLOBUTANE \| 1003013-83-9 \| Cyclobutane, 3-(iodomethyl)-1,1-dimethoxy- \| C7H13IO2 \| 3-iodomethyl-1,1-dimethoxy-cyclobutane \| SCHEMBL1864379 \| DTXSID70677506 \| AGPKIHFLRJRIKP-UHFFFAOYSA-N \| AKOS015853718 \| GS-4412 \| FT-0743678 \| J-510887 \| F2147-4324 \|
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers
      - Level5 Acetals
        Level6 Ketals

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Acetals
Direct Parent	Ketals
Alternative Parents	Organoiodides Hydrocarbon derivatives Alkyl iodides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Ketal - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
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	3-(iodomethyl)-1,1-dimethoxycyclobutane
INCHI	InChI=1S/C7H13IO2/c1-9-7(10-2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey	AGPKIHFLRJRIKP-UHFFFAOYSA-N
Smiles	COC1(CC(C1)CI)OC
Isomeric SMILES	COC1(CC(C1)CI)OC
Molecular Weight	256.1
Reaxy-Rn	15607916
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15607916&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	256.079 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	255.996 Da
Monoisotopic Mass	255.996 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104.000
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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