Cas no 177665-49-5 (Benzeneacetonitrile,3-(hydroxymethyl)-)

Benzeneacetonitrile, 3-(hydroxymethyl)- is a versatile chemical intermediate characterized by the presence of both a nitrile and a hydroxymethyl functional group on a benzene ring. This structure makes it valuable for synthetic applications, particularly in pharmaceuticals and fine chemicals, where it serves as a precursor for further functionalization. The hydroxymethyl group enhances reactivity, enabling efficient derivatization, while the nitrile group offers additional synthetic flexibility. Its stability under standard conditions and compatibility with common organic solvents further contribute to its utility in multistep synthesis. This compound is particularly useful in the development of bioactive molecules and specialty materials.
Benzeneacetonitrile,3-(hydroxymethyl)- structure
177665-49-5 structure
Product Name:Benzeneacetonitrile,3-(hydroxymethyl)-
CAS No:177665-49-5
MF:C9H9NO
MW:147.173862218857
CID:112688
PubChem ID:22050157
Update Time:2025-05-21

Benzeneacetonitrile,3-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,3-(hydroxymethyl)-
    • 2-(3-(HYDROXYMETHYL)PHENYL)ACETONITRILE
    • 2-[3-(hydroxymethyl)phenyl]acetonitrile
    • 3-Oxymethyl-phenylessigsaeurenitril
    • Benzeneacetonitrile, 3-(hydroxymethyl)- (9CI)
    • FT-0690548
    • 2-(3-Hydroxymethyl)phenyl)acetonitrile
    • SCHEMBL4374157
    • [3-(Hydroxymethyl)phenyl]acetonitrile
    • AKOS006286236
    • SB84858
    • 177665-49-5
    • DTXSID80622022
    • CS-0378942
    • AIIGUBDBBSHGPG-UHFFFAOYSA-N
    • (3-hydroxymethylphenyl)Acetonitrile
    • Inchi： 1S/C9H9NO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6,11H,4,7H2
    • InChI Key： AIIGUBDBBSHGPG-UHFFFAOYSA-N
    • SMILES： OCC1C=CC=C(CC#N)C=1

Computed Properties

  • Exact Mass: 147.06800
  • Monoisotopic Mass: 147.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: 0.7
  • Topological Polar Surface Area: 44?2

Experimental Properties

  • PSA: 44.02000
  • LogP: 1.24498

Benzeneacetonitrile,3-(hydroxymethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1210934-1g
2-(3-(Hydroxymethyl)phenyl)acetonitrile
 177665-49-5 95%
1g
 $565 2024-06-05
eNovation Chemicals LLC
Y1210934-1g
2-(3-(Hydroxymethyl)phenyl)acetonitrile
 177665-49-5 95%
1g
 $565 2025-02-20
eNovation Chemicals LLC
Y1210934-1g
2-(3-(Hydroxymethyl)phenyl)acetonitrile
 177665-49-5 95%
1g
 $565 2025-02-24

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