3-Formylbenzoic acid | CAS No. 619-21-6

3-Formylbenzoic acid

Basic Information

CAS Number

619-21-6

Molecular Formula

C8H6O3

Molecular Weight

150.13 g/mol

AD

Basic Physical Properties

Melting Point

173-175 °C

Boiling Point

331.7℃ at 760 mmHg

Density

1.2645 (rough estimate)

Flash Point

168.6℃

Solubility

Soluble in methanol (100 mg/mL) gives a clear to slightly hazy, colorless to very faintly brown.

Refractive Index

1.4500 (estimate)

C1=CC(=CC(=C1)C(=O)O)C=O

InChI

InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)

InChIKey

UHDNUPHSDMOGCR-UHFFFAOYSA-N

LogP

1.1973

pKa

3.84(at 25℃)

Topological Polar Surface Area

54.37 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

165

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 619-21-6
  • 3-FORMYLBENZOIC ACID
  • HB95GRM95D
  • GS-3346
  • FT-0602351
  • m-CARBOXYBENZALDEHYDE
  • UNII-HB95GRM95D
  • A833484
  • EN300-66986
  • AM20060695
  • 3-Formylbenzoic acid, 97%
  • Q27279841
  • Isophthalaldehydsaure
  • 3-FormylbenzoicAcid
  • DTXSID0060696
  • MFCD00039575
  • 3-ormylbenzoic acid
  • AKOS005131063
  • EINECS 210-585-6
  • SCHEMBL266698
  • UHDNUPHSDMOGCR-UHFFFAOYSA-
  • Benzoic acid, 3-formyl-
  • W-105078
  • CHEBI:183859
  • 3-Formylbenzoic acid #
  • F0001-1645
  • FORMYL BENZOIC ACID, M-
  • InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
  • 3-Formyl-benzoic acid
  • 3-formyl benzoic acid
  • CS-W001607

MDL Number

MFCD00039575

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