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1-(Azidomethyl)-2-methylbenzene solution - ~0.5M in tert-butyl methyl ether, ≥97.0% (HPLC), high purity , CAS No.126799-83-5

COA

Grade & Purity:

≥97%(HPLC)
0.5M in tert-butyl methyl ether

Cas Number: 126799-83-5
Molecular Weight: 147.18
MDL number: MFCD11637152
PubChem CID: 11040842

In stock

Item Number

A462937

Grouped product items
SKU	Size	Availability	Price	Qty
A462937-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$365.90
A462937-50ml	50ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,918.90

Basic Description

Synonyms	o-Methylbenzyl azide solution, α-Azido-o-xylene solution
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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Azo imides Azo compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-(azidomethyl)-2-methylbenzene
INCHI	InChI=1S/C8H9N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2-5H,6H2,1H3
InChIKey	TWZXVFYNRLIXRY-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1CN=[N+]=[N-]
Isomeric SMILES	CC1=CC=CC=C1CN=[N+]=[N-]
Molecular Weight	147.18
Reaxy-Rn	4860454
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4860454&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	147.180 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	147.08 Da
Monoisotopic Mass	147.08 Da
Topological Polar Surface Area	14.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
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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