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2-Azidoanisole solution - 0.5M in tert-butyl methyl ether, ≥95% (HPLC), high purity , CAS No.20442-97-1
Basic Description
Synonyms
o-Methoxyphenyl azide | XBXJQBGKICADKR-UHFFFAOYSA-N | methoxyphenyl azide | STL192401 | F2157-0473 | AKOS015830668 | 1-Azido-2-methoxybenzene | DTXSID50341975 | Benzene, 1-azido-2-methoxy- | LS-12259 | Anisole, o-azido- | EN300-112612 | o-Azidoanisole | S
Specifications & Purity
≥95%(HPLC), 0.5M in tert-butyl methyl ether
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyanilines
Alternative Parents
Phenylazides Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Azo imides Azo compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Methoxyaniline - Anisole - Phenol ether - Phenylazide - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Azo compound - Azo imide - Ether - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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
1-azido-2-methoxybenzene
INCHI
InChI=1S/C7H7N3O/c1-11-7-5-3-2-4-6(7)9-10-8/h2-5H,1H3
InChIKey
XBXJQBGKICADKR-UHFFFAOYSA-N
Smiles
COC1=CC=CC=C1N=[N+]=[N-]
Isomeric SMILES
COC1=CC=CC=C1N=[N+]=[N-]
WGK Germany
3
Molecular Weight
149.15
Reaxy-Rn
2091723
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091723&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
-27.4 °F
Flash Point(°C)
-33 °C
Molecular Weight
149.150 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
149.059 Da
Monoisotopic Mass
149.059 Da
Topological Polar Surface Area
23.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
165.000
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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