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6-Fluoro-2-naphthoic acid - 97%, high purity , CAS No.5043-01-6
Basic Description
Synonyms
6-fluoranylnaphthalene-2-carboxylic acid | A828123 | F2191-0010 | 2-Naphthalenecarboxylic acid, 6-fluoro- | I7W | 6-Fluoro-2-naphthoic acid, 97% | 6-fluoro-naphthalene-2-carboxylic acid | 6-fluoronaphthalene-2-carboxylic Acid | 6-FLUORO-2-NAPHTHOICACID |
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids
Alternative Parents
Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalenecarboxylic acid - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused 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
Pubchem Sid
504762088
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762088
IUPAC Name
6-fluoronaphthalene-2-carboxylic acid
INCHI
InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKey
CYKDCZRPLWJEKA-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=CC(=C2)F)C=C1C(=O)O
Isomeric SMILES
C1=CC2=C(C=CC(=C2)F)C=C1C(=O)O
Molecular Weight
190.17
Reaxy-Rn
1950902
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950902&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
242-246℃ (lit.)
Molecular Weight
190.170 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
190.043 Da
Monoisotopic Mass
190.043 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
229.000
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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C2519425