Cas no 949513-12-6 (4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile)

4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile structure
949513-12-6 structure
Product Name:4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile
CAS No:949513-12-6
MF:C10H5F3N2
MW:210.155312299728
MDL:MFCD20921572
CID:3168196
PubChem ID:66545172
Update Time:2025-09-28

4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile
    • 4-amino-5-ethynyl-2-(trifluoromethyl)benzenecarbonitrile
    • MFCD20921572
    • 949513-12-6
    • 4-amino-5-ethynyl-2-(trifluoromethyl)benzonitrile
    • SCHEMBL204399
    • 937-371-1
    • 4-amino-5-ethynyl-2-trifluoromethyl-benzonitrile
    • AKOS015991452
    • GD-0076
    • MDL: MFCD20921572
    • Inchi: 1S/C10H5F3N2/c1-2-6-3-7(5-14)8(4-9(6)15)10(11,12)13/h1,3-4H,15H2
    • InChI Key: NJYGHOFVSRBGLX-UHFFFAOYSA-N
    • SMILES: FC(C1C(C#N)=CC(C#C)=C(C=1)N)(F)F

Computed Properties

  • Exact Mass: 210.04048265Da
  • Monoisotopic Mass: 210.04048265Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 330
  • 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: 2.1
  • Topological Polar Surface Area: 49.8?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A059070-50mg
4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile
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$ 205.00 2022-06-08
TRC
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4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile
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$ 335.00 2022-06-08
Apollo Scientific
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Apollo Scientific
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4-Amino-5-ethynyl-2-(trifluoromethyl)benzenecarbonitrile
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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A2B Chem LLC
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