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6-Bromo-7-fluoro-3,4-dihydronaphthalen-1(2H)-one - 97%, high purity , CAS No.1260014-69-4
Basic Description
Synonyms
6-bromo-7-fluoro-3,4-dihydro-2H-naphthalen-1-one | BS-14830 | FXBNSHLDYXJLEZ-UHFFFAOYSA-N | SY273543 | SCHEMBL16858594 | 1260014-69-4 | 6-bromo-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-one | MFCD18208386 | 6-bromo-7-fluoro-3,4-dihydronaphthalen-1(2H)-one |
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Aryl alkyl ketones Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Vinyl fluorides Vinyl bromides Fluoroalkenes Bromoalkenes Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetralin - Aryl alkyl ketone - Aryl ketone - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Fluoroalkene - Bromoalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Vinyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
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
6-bromo-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
INCHI
InChI=1S/C10H8BrFO/c11-8-4-6-2-1-3-10(13)7(6)5-9(8)12/h4-5H,1-3H2
InChIKey
FXBNSHLDYXJLEZ-UHFFFAOYSA-N
Smiles
C1CC2=CC(=C(C=C2C(=O)C1)F)Br
Isomeric SMILES
C1CC2=CC(=C(C=C2C(=O)C1)F)Br
Molecular Weight
243.07
Reaxy-Rn
28288395
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28288395&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.070 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
241.974 Da
Monoisotopic Mass
241.974 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
219.000
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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