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3-(Bromomethyl)-1,1-difluorocyclobutane , CAS No.1252934-30-7

COA

Cas Number: 1252934-30-7
Molecular Weight: 185.01
PubChem CID: 53416026

In stock

Item Number

B166726

Grouped product items
SKU	Size	Availability	Price	Qty
B166726-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$196.90

Basic Description

Synonyms	3-(BROMOMETHYL)-1,1-DIFLUOROCYCLOBUTANE \| 1252934-30-7 \| MFCD17170416 \| 3-Bromomethyl-1,1-difluoro-cyclobutane \| Cyclobutane, 3-(bromomethyl)-1,1-difluoro- \| C5H7BrF2 \| SCHEMBL17205238 \| DTXSID10697102 \| CAVNVGJESLKKME-UHFFFAOYSA-N \| BBL102056 \| STL555855 \| AKOS016001782 \| SB111
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organofluorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Organofluorides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organofluorides
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine 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-difluorocyclobutane
INCHI	InChI=1S/C5H7BrF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2
InChIKey	CAVNVGJESLKKME-UHFFFAOYSA-N
Smiles	C1C(CC1(F)F)CBr
Isomeric SMILES	C1C(CC1(F)F)CBr
Molecular Weight	185.01
Reaxy-Rn	23592579
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23592579&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	185.010 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	183.97 Da
Monoisotopic Mass	183.97 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.400
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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