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CS-W001157 4
Total: USD 88.00

1,2-Diamino-3-chlorobenzene

  • CAS No. 21745-41-5

  • Cat. No. CS-W005602
  • Purity≥96%
  • MDL No.MFCD09881742

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

1,2-Diamino-3-chlorobenzene|CS-W005602

Structure of 21745-41-5

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General Information

  • CAS No. 21745-41-5
  • Cat. No. CS-W005602
  • Purity ≥96%
  • MDL No. MFCD09881742
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇ClN₂
  • Molecular Weight None
  • Synonym(s) 6-Chloro-1,2-benzenediamine
  • SMILES ClC1=C(N)C(N)=CC=C1

Description

1,2-Diamino-3-chlorobenzene features a benzene ring bearing two amino groups in ortho configuration and a chlorine atom at the meta position. This arrangement delivers a rigid, electron-rich scaffold ideal for coordination chemistry and heterocyclic synthesis. The molecule exhibits enhanced solubility in polar solvents and stability under standard bench conditions, enabling reliable use in transition metal catalysis and ligand design.

Application

1,2-Diamino-3-chlorobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of functionalized heterocycles via cyclization or coupling reactions. Its ortho-diamino architecture facilitates metal coordination and provides complementary reactivity for palladium-catalyzed cross-couplings. The chloro substituent offers a handle for further derivatization through nucleophilic substitution or transition-metal-catalyzed transformations. Bench-stable and readily purified by recrystallization, it functions efficiently in multistep syntheses requiring precise regiocontrol and functional group tolerance.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   1.5044
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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