The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2,6-Difluoro-3-nitrobenzeneboronic acid, 96% - ≥96%, high purity , CAS No.1150114-28-5
Basic Description
Synonyms
1150114-28-5 | 2,6-Difluoro-3-nitrophenylboronic acid | (2,6-Difluoro-3-nitrophenyl)boronic acid | Boronic acid, B-(2,6-difluoro-3-nitrophenyl)- | DTXSID70674555 | MFCD12025957 | AKOS015853299 | (2,6-Difluoro-3-nitrophenyl)boronicacid | DS-14779 | FT-0697350 | N12256 | A894082
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Fluorobenzenes Aryl fluorides Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic nitro compound - C-nitro compound - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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
(2,6-difluoro-3-nitrophenyl)boronic acid
INCHI
InChI=1S/C6H4BF2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2,11-12H
InChIKey
SPEDPBJIXAVPMJ-UHFFFAOYSA-N
Smiles
B(C1=C(C=CC(=C1F)[N+](=O)[O-])F)(O)O
Isomeric SMILES
B(C1=C(C=CC(=C1F)[N+](=O)[O-])F)(O)O
PubChem CID
46738911
Molecular Weight
202.91
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
202.910 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
203.02 Da
Monoisotopic Mass
203.02 Da
Topological Polar Surface Area
86.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
224.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
