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1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene - 98%, high purity , CAS No.239087-07-1
Discover 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene by Aladdin Scientific in 98% for only $536.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
239087-07-1 | 1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene | 2-Fluoro-4-(trifluoromethyl)benzyl bromide | MFCD00061173 | 2-fluoro-4-(trifluoromethyl)benzylbromide | SCHEMBL1117948 | DTXSID80372151 | AMY21310 | AKOS005259091 | PS-9944 | 2-fluoro-4-trifluoromethylbenzyl
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzyl bromides Fluorobenzenes Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzyl halide - Benzyl bromide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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
1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene
INCHI
InChI=1S/C8H5BrF4/c9-4-5-1-2-6(3-7(5)10)8(11,12)13/h1-3H,4H2
InChIKey
MQUCRCQNRDHRPL-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1C(F)(F)F)F)CBr
Isomeric SMILES
C1=CC(=C(C=C1C(F)(F)F)F)CBr
Molecular Weight
257
Reaxy-Rn
10660852
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10660852&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
257.019 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
255.951 Da
Monoisotopic Mass
255.951 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
168.000
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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