1-Azido-4-chlorobenzene solution - ≥95%(HPLC), ~0.5M in tert-butyl methyl ether , CAS No.3296-05-7

CAS: 3296-05-7 Cat. No.: A462935 Molecular Weight: 153.57 Beilstein Registry Number: 1210408 EC Number: 685-976-1

GRADE & PURITY ≥95%(HPLC), ~0.5M in tert-butyl methyl ether

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1N=[N+]=[N-])Cl
• IUPAC Name: 1-azido-4-chlorobenzene
• InChIKey: HZVGOEUGZJFTNN-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
• 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=

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

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.

DOI: 10.1186/s13321-016-0174-y

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 Ų
• 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