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-Fluoro-6-propoxyphenylboronic acid(contains varying amounts of Anhydride) - ≥95%, high purity , CAS No.870777-18-7
Basic Description
Synonyms
870777-18-7 | 2-Fluoro-6-propoxyphenylboronic acid | (2-Fluoro-6-propoxyphenyl)boronic acid | 2-Fluoro-6-proproxyphenylboronic acid | SCHEMBL3316374 | DTXSID90584541 | MFCD06200722 | (2-Fluoro-6-propoxyphenyl)boronicacid | AKOS015853298 | AB23044 | BS-22910 | CS-0174133 | D71339
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Organofluorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic oxygen compound - Organohalogen compound - Organoboron compound - Organofluoride - Organooxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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-fluoro-6-propoxyphenyl)boronic acid
INCHI
InChI=1S/C9H12BFO3/c1-2-6-14-8-5-3-4-7(11)9(8)10(12)13/h3-5,12-13H,2,6H2,1H3
InChIKey
MRVRMZWHFZYTCY-UHFFFAOYSA-N
Smiles
B(C1=C(C=CC=C1F)OCCC)(O)O
Isomeric SMILES
B(C1=C(C=CC=C1F)OCCC)(O)O
WGK Germany
3
Molecular Weight
198
Reaxy-Rn
22889438
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22889438&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
104-109 °C
Molecular Weight
198.000 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
198.086 Da
Monoisotopic Mass
198.086 Da
Topological Polar Surface Area
49.700 Ų
Heavy Atom Count
14
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
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.
