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2-Ethynyl-6-methoxynaphthalene - 97%, high purity , CAS No.129113-00-4
Basic Description
Synonyms
AKOS015916464 | FT-0691670 | SCHEMBL936832 | Naphthalene, 2-ethynyl-6-methoxy- | 2-Ethynyl-6-methoxynaphthalene 97 | 2-Ethynyl-6-methoxynaphthalene | 2-ethynyl-6-methoxy-naphthalene | J-509344 | 6-Methoxy 2-naphthylacetylene | 2-Ethynyl-6-methoxynaphthal
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
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
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Anisoles Alkyl aryl ethers Acetylides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Anisole - Alkyl aryl ether - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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
488194914
IUPAC Name
2-ethynyl-6-methoxynaphthalene
INCHI
InChI=1S/C13H10O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h1,4-9H,2H3
InChIKey
PATPLTUFXUXNDY-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=C1)C=C(C=C2)C#C
Isomeric SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C#C
UN Number
3077
Packing Group
III
Molecular Weight
182.22
Reaxy-Rn
3540090
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3540090&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
110-114° C (lit.)
Molecular Weight
182.220 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
182.073 Da
Monoisotopic Mass
182.073 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
237.000
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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B2301710