Cas no 25319-49-7 (2-Fluorotoluene-α,α,α-d3)

2-Fluorotoluene-α,α,α-d3 is a deuterated aromatic compound where the three hydrogen atoms on the methyl group are replaced by deuterium (D). This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise structural analysis. The fluorine substituent introduces unique electronic effects, making it valuable in mechanistic studies and synthetic applications. Its high isotopic purity ensures minimal interference in tracer experiments, while the stable deuterium label improves metabolic stability in pharmaceutical research. This compound is particularly useful in investigating reaction pathways, isotope effects, and as an internal standard in analytical chemistry.
2-Fluorotoluene-α,α,α-d3 structure
2-Fluorotoluene-α,α,α-d3 structure
Product Name:2-Fluorotoluene-α,α,α-d3
CAS No:25319-49-7
MF:C7H7F
MW:110.128885507584
MDL:MFCD03428086
CID:253935
PubChem ID:7241
Update Time:2025-06-09

2-Fluorotoluene-α,α,α-d3 Chemical and Physical Properties

Names and Identifiers

    • Toluene-a,a,a-d3, o-fluoro- (8CI)
    • 2-FLUOROTOLUENE-ALPHA,ALPHA,ALPHA-D3
    • 2-Fluorotoluene-α,α,α-D3
    • FT-0655094
    • 1-Fluoro-2-methylbenzene
    • NSC-8859
    • L55XKB3K7H
    • SCHEMBL11837
    • 1-Methyl-2-fluorobenzene
    • FLUOROTOLUENE
    • AKOS000119932
    • Q27282724
    • 2 -fluorotoluene
    • BRN 1853362
    • NSC8859
    • O-FLUOROTOLUENE
    • 25319-49-7
    • 2-Fluorotoluene, >=99%
    • 4-05-00-00799 (Beilstein Handbook Reference)
    • F0039
    • EN300-19497
    • EC 202-428-5
    • DTXSID7021811
    • 1-methylbutyl 2-methylprop-2-enoate
    • 2-Fluorotoluene
    • BDBM50008541
    • InChI=1/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H
    • 17359-78-3
    • O-FLUOROTOLUENE [MI]
    • 1-Fluoro-2-methyl-benzene
    • CHEMBL352215
    • o-Fluorotoluene [UN2388] [Flammable liquid]
    • 95-52-3
    • F0001-2273
    • Benzene, 1-fluoro-2-methyl-
    • 2-FLUOROTOLUENE-ALPHA-D1
    • UNII-L55XKB3K7H
    • J-509532
    • NS00002197
    • Toluene, o-fluoro-
    • ortho-Fluorotoluene
    • FT-0657215
    • 2-fluoro-toluene
    • PS-11960
    • Z104474026
    • EINECS 202-428-5
    • AM87483
    • NSC 8859
    • 2-Fluorotoluene-α,α,α-d3
    • MDL： MFCD03428086
    • Inchi： 1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
    • InChI Key： MMZYCBHLNZVROM-UHFFFAOYSA-N
    • SMILES： FC1C=CC=CC=1C

Computed Properties

  • Exact Mass: 113.072
  • Monoisotopic Mass: 113.072
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 70.8
  • 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: 2.9
  • Topological Polar Surface Area: 0A^2

2-Fluorotoluene-α,α,α-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
F202357-2.5mg
2-Fluorotoluene-α,α,α-d3
 25319-49-7
2.5mg
 $ 64.00 2023-09-07
TRC
F202357-5mg
2-Fluorotoluene-α,α,α-d3
 25319-49-7
5mg
 $ 81.00 2023-09-07
TRC
F202357-25mg
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25mg
 $115.00 2023-05-18
AstaTech
D98484-0.1/G
2-FLUOROTOLUENE-ALPHA,ALPHA,ALPHA-D3
 25319-49-7 95%
0.1g
 $365 2023-09-19
AstaTech
D98484-0.25/G
2-FLUOROTOLUENE-ALPHA,ALPHA,ALPHA-D3
 25319-49-7 95%
0.25g
 $520 2023-09-19

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