Cas no 83171-49-7 (Benzenamine, 3-chloro-5-iodo-)

Benzenamine, 3-chloro-5-iodo- structure
Benzenamine, 3-chloro-5-iodo- structure
Product Name:Benzenamine, 3-chloro-5-iodo-
CAS No:83171-49-7
MF:C6H5ClIN
MW:253.468072652817
MDL:MFCD04116466
CID:677192
PubChem ID:15168449
Update Time:2024-10-27

Benzenamine, 3-chloro-5-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 3-chloro-5-iodo-
    • 3-chloro-5-iodoaniline
    • 3-chloro-5-iodobenzenamine
    • 3-Fluoro-5-iodoaniline
    • 3-Chloro-5-iodobenzenamine (ACI)
    • CS-0060196
    • 83171-49-7
    • MFCD18393313
    • 3-chloro-5-iodo-aniline
    • DTXSID20569467
    • DS-19833
    • SCHEMBL6179899
    • MFRQKPOHPGXPSQ-UHFFFAOYSA-N
    • SY290664
    • C76656
    • AKOS030581327
    • DB-331220
    • MDL: MFCD04116466
    • Inchi: 1S/C6H5ClIN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
    • InChI Key: MFRQKPOHPGXPSQ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(N)C=C(I)C=1

Computed Properties

  • Exact Mass: 252.91552g/mol
  • Monoisotopic Mass: 252.91552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 26?2

Benzenamine, 3-chloro-5-iodo- Pricemore >>

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Benzenamine, 3-chloro-5-iodo- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide ,  Bis(pinacolato)diborane Solvents: Isopropanol ;  2 h, 110 °C
Reference
Pd-Catalyzed Decarboxylative Ortho-Halogenation of Aryl Carboxylic Acids with Sodium Halide NaX Using Carboxyl as a Traceless Directing Group
Fu, Zhengjiang ; et al, Organic Letters, 2019, 21(9), 3003-3007

Production Method 2

Reaction Conditions
1.1 Reagents: Copper oxide (Cu2O) ,  Sodium iodide ,  Tripotassium phosphate ,  Oxygen ,  Bismuth nitrate Catalysts: Palladium diacetate Solvents: Dimethyl sulfoxide ;  10 h, 170 °C
2.1 Reagents: Potassium tert-butoxide ,  Bis(pinacolato)diborane Solvents: Isopropanol ;  2 h, 110 °C
Reference
Pd-Catalyzed Decarboxylative Ortho-Halogenation of Aryl Carboxylic Acids with Sodium Halide NaX Using Carboxyl as a Traceless Directing Group
Fu, Zhengjiang ; et al, Organic Letters, 2019, 21(9), 3003-3007

Benzenamine, 3-chloro-5-iodo- Raw materials

Benzenamine, 3-chloro-5-iodo- Preparation Products

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