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CS-W001157 4
Total: USD 88.00

2-Amino-4-chlorobenzonitrile

  • CAS No. 38487-86-4

  • Cat. No. CS-W016290
  • Purity≥97%
  • MDL No.MFCD00035927

*For research and further manufacturing use only, not for direct human use.

2-Amino-4-chlorobenzonitrile|CS-W016290

Structure of 38487-86-4

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General Information

  • CAS No. 38487-86-4
  • Cat. No. CS-W016290
  • Purity ≥97%
  • MDL No. MFCD00035927
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂
  • Molecular Weight None
  • Synonym(s) 5-Chloro-2-cyanoaniline
  • SMILES NC1=CC(Cl)=CC=C1C#N

Description

2-Amino-4-chlorobenzonitrile (2A4CBN) is a benzonitrile derivative. A study of the molecular structure, vibrational spectra and NBO analysis of 2A4CBN has been undertaken. Transformation of 2A4CBN into quinazoline-2,4(1H,3H)-diones at atmospheric pressure of CO2 in the presence of monomeric tungstate, TBA2[WO4] (TBA = tetra-n-butylammonium) has been reported.2-Amino-4-chlorobenzonitrile may be used in the preparation of the following:6-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride7-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline6-chlorotacrineN-(2-chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 42, # 21 p. 4394 - 4404
  • Route2
    • null|null
      1192690-70-2
    • ~25%
    • null|null
      1192691-00-1
    • In-stock
      2-Amino-4-chlorobenzonitrile|CS-W016290
      38487-86-4

    References

    • Tetrahedron, , vol. 65, # 40 p. 8428 - 8433
  • Route3
    • null|null
      1210035-05-4
    • null|null
      603-35-0
    • ~25%
    • null|null
      1192691-01-2
    • In-stock
      2-Amino-4-chlorobenzonitrile|CS-W016290
      38487-86-4

    References

    • Tetrahedron, , vol. 66, # 32 p. 6032 - 6039

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.79388
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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