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1-Azido-4-chlorobenzene solution - ~0.5M in tert-butyl methyl ether, ≥95.0% (HPLC), high purity , CAS No.3296-05-7

COA

Grade & Purity:

≥95%(HPLC)
~0.5M in tert-butyl methyl ether

Cas Number: 3296-05-7
Molecular Weight: 153.57
Beilstein Registry Number: 1210408
MDL number: MFCD00869580
PubChem CID: 76803

In stock

Item Number

A462935

Grouped product items
SKU	Size	Availability	Price	Qty
A462935-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$403.90
A462935-50ml	50ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,044.90

Basic Description

Synonyms	p-Chloro -Azido-benzene \| J-018950 \| p-chlorophenyl azide \| 4-Chlorophenyl azide \| 4-Chlorophenylazide \| BB 0257675 \| BS-13268 \| 1-Azido-4-chlorobenzene 0.5M in tert-butyl methyl ether \| SCHEMBL13653944 \| F2157-0478 \| AKOS009325427 \| MFCD00869580 \| 1-Azid
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

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylazides
Intermediate Tree Nodes	Not available
Direct Parent	Phenylazides
Alternative Parents	Chlorobenzenes Aryl chlorides Azo imides Azo compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylazide - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Azo imide - Azo compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylazides. These are compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl 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-azido-4-chlorobenzene
INCHI	InChI=1S/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKey	HZVGOEUGZJFTNN-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1N=[N+]=[N-])Cl
Isomeric SMILES	C1=CC(=CC=C1N=[N+]=[N-])Cl
WGK Germany	3
Molecular Weight	153.57
Beilstein	1210408
Reaxy-Rn	1210408
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210408&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	419.33 °C (Predicted)
Melt Point(°C)	20 °C
Molecular Weight	153.570 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	153.009 Da
Monoisotopic Mass	153.009 Da
Topological Polar Surface Area	14.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145.000
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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