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3-(bromomethyl)-1,1-dimethylcyclobutane - 97%, high purity , CAS No.76207-22-2

COA

Grade & Purity:

≥97%

Cas Number: 76207-22-2
Molecular Weight: 177.085
PubChem CID: 12656857

In stock

Item Number

B177388

Grouped product items
SKU	Size	Availability	Price	Qty
B177388-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,246.90

Basic Description

Synonyms	3-(bromomethyl)-1,1-dimethylcyclobutane \| 76207-22-2 \| MFCD17170399 \| SCHEMBL17825342 \| DTXSID70505895 \| BDA20722 \| AKOS025403855 \| SB11420 \| AS-51212 \| SY098928 \| A9659 \| CS-0051713 \| EN300-239836 \| P12135 \| F2147-1654
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organobromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Organobromides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organobromides
Alternative Parents	Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
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-(bromomethyl)-1,1-dimethylcyclobutane
INCHI	InChI=1S/C7H13Br/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey	LXYGBCXUPQXFKM-UHFFFAOYSA-N
Smiles	CC1(CC(C1)CBr)C
Isomeric SMILES	CC1(CC(C1)CBr)C
Molecular Weight	177.085
Reaxy-Rn	4361404
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4361404&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	177.080 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	176.02 Da
Monoisotopic Mass	176.02 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.400
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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