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3-bromo-1,1-difluorocyclobutane - 97%, high purity , CAS No.1310729-91-9
Discover 3-bromo-1,1-difluorocyclobutane by Aladdin Scientific in 97% for only $170.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-bromo-1,1-difluorocyclobutane | 1310729-91-9 | 3-BROMO-1,1-DIFLUORO-CYCLOBUTANE | 1-BROMO-3,3-DIFLUOROCYCLOBUTANE | 3-BroMo-1,1-difluoro-cycl... | Cyclobutane, 3-bromo-1,1-difluoro- | MFCD22989493 | SCHEMBL1934542 | YBDREFHEOWCFLV-UHFFFAOYSA-N | BBL102035 | STL555834 | AKOS0
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Data sources
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.
Names and Identifiers
IUPAC Name
3-bromo-1,1-difluorocyclobutane
INCHI
InChI=1S/C4H5BrF2/c5-3-1-4(6,7)2-3/h3H,1-2H2
InChIKey
YBDREFHEOWCFLV-UHFFFAOYSA-N
Smiles
C1C(CC1(F)F)Br
Isomeric SMILES
C1C(CC1(F)F)Br
Molecular Weight
170.985
Reaxy-Rn
31061749
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31061749&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
170.980 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
169.954 Da
Monoisotopic Mass
169.954 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
73.800
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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