Cas no 121247-01-6 (3-Fluorophenylglyoxal hydrate)

3-Fluorophenylglyoxal hydrate structure
3-Fluorophenylglyoxal hydrate structure
Product Name:3-Fluorophenylglyoxal hydrate
CAS No:121247-01-6
MF:C8H7FO3
MW:170.137786149979
MDL:MFCD06800769
CID:91520
PubChem ID:2783267
Update Time:2025-04-18

3-Fluorophenylglyoxal hydrate Chemical and Physical Properties

Names and Identifiers

    • 3-Fluorophenylglyoxal hydrate
    • 2-(3-fluorophenyl)-2-oxoacetaldehyde,hydrate
    • Benzeneacetaldehyde,3-fluoro-a-oxo
    • 3-FLUOROPHENYLGLYOXAL HYDRATE , DRY WT. BASIS
    • 2-(3-Fluorophenyl)-2-oxoacetaldehyde hydrate
    • 3-FLUOROPHENYLGLYOXAL HYDRATE, 98%, DRY WT. BASIS
    • MFCD06800769
    • 2-(3-fluorophenyl)-2-oxoacetaldehydehydrate
    • 3-Fluoro-a-oxobenzeneacetaldehyde
    • AB29976
    • AKOS005254470
    • 121247-01-6
    • FT-0677415
    • SCHEMBL8938135
    • (3-Fluorophenyl)glyoxal
    • F77932
    • J-505788
    • 2-(3-fluorophenyl)-2-oxoacetaldehyde;hydrate
    • DTXSID70382547
    • MS-20016
    • 1049745-82-5
    • MDL: MFCD06800769
    • Inchi: 1S/C8H5FO2.H2O/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-5H;1H2
    • InChI Key: VGFHAWFFIQFSRR-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(C(C=O)=O)=C1.O
    • BRN: 3537863

Computed Properties

  • Exact Mass: 170.03800
  • Monoisotopic Mass: 170.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 168
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 35.1A^2

Experimental Properties

  • Color/Form: White to pink solid
  • Density: g/cm3
  • Melting Point: 57-59°C
  • Boiling Point: 213.4°Cat760mmHg
  • Flash Point: 80°C
  • PSA: 57.53000
  • LogP: 0.31910
  • Solubility: Soluble in water

3-Fluorophenylglyoxal hydrate Security Information

  • Signal Word:warning
  • Hazard Statement: Irritant
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • HazardClass:IRRITANT
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-Fluorophenylglyoxal hydrate Customs Data

  • Customs Data:

    United Statescustoms code:

    2918303000

    Summary:

    2918303000 Other Aromatic Carboxylic Acids With Aldehyde Or Ketone Function But Without Other Oxygen Function And Their Derivatives,(excluding Products Of Us Note 3 to Section 6). Rate general: 6.5%. Rate special: Free (A+,AU,BH,CA,CL,CO,D,E,IL,J,JO,K,KR,MA,MX,OM,P,PA,PE,SG). Rate 2: 15.4¢/kg + 57%

3-Fluorophenylglyoxal hydrate Pricemore >>

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