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1-(Azidomethyl)-2-chlorobenzene solution - ~0.5M in tert-butyl methyl ether, ≥97.0% (HPLC), high purity , CAS No.63777-70-8
Basic Description
Synonyms
o-chlorobenzyl azide | 1-(azidomethyl)-2-chlorobenzene | 1-(azidomethyl)-2-chloro-benzene | 2-Chlorobenzyl azide | 1-azidomethyl-2-chlorobenzene | AKOS009452183 | Benzene, 1-(azidomethyl)-2-chloro- | MFCD11637163 | EN300-65404 | BOSNISRGGXSMHE-UHFFFAOYSA-
Specifications & Purity
≥97%(HPLC), 0.5M in tert-butyl methyl ether
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
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Aryl chlorides Azo imides Azo compounds Organochlorides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Chlorobenzene - Aryl halide - Aryl chloride - Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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-(azidomethyl)-2-chlorobenzene
INCHI
InChI=1S/C7H6ClN3/c8-7-4-2-1-3-6(7)5-10-11-9/h1-4H,5H2
InChIKey
BOSNISRGGXSMHE-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)CN=[N+]=[N-])Cl
Isomeric SMILES
C1=CC=C(C(=C1)CN=[N+]=[N-])Cl
WGK Germany
3
Molecular Weight
167.6
Reaxy-Rn
2719059
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719059&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
-22 °F
Flash Point(°C)
-30 °C
Molecular Weight
167.590 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
167.025 Da
Monoisotopic Mass
167.025 Da
Topological Polar Surface Area
14.400 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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