naphthalene-2,3-dicarbaldehyde

• ChemBase ID: 137362
• Molecular Formular: C12H8O2
• Molecular Mass: 184.19072
• Monoisotopic Mass: 184.0524295
• SMILES: c1ccc2cc(c(cc2c1)C=O)C=O
• Canonical SMILES: O=Cc1cc2ccccc2cc1C=O
• InChI: InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H
• InChIKey: ZIPLKLQPLOWLTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2,3-dicarbaldehyde
• IUPAC Traditional name: naphthalene-2,3-dicarbaldehyde
• Synonyms: 2,3-Naphthalenedicarboxaldehyde; 2,3-Diformylnaphthalene; NSC 72106; Naphthalene-2,3-dicarbaldehyde; Naphthalene-2,3-dicarboxaldehyde; NDA; 2,3-Naphthalenedicarboxaldehyde

Database IDs

• CAS Number: 7149-49-7
• MDL Number: MFCD00016618
• Beilstein Number: 2207267
• PubChem SID: 24863857; 162231625
• PubChem CID: 96400

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3877273
• LogD (pH = 7.4): 2.3877273
• Log P: 2.3877273
• Molar Refractivity: 55.6762 cm^3
• Polarizability: 21.659195 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Yellow Solid
• Melting Point: 129-131°C; 131-133 °C(lit.)

Safety Information

• Storage Condition: -20°C Freezer
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: C10H6(CHO)2

DETAILS

Toronto Research Chemicals - N356000

Naphthalene-2,3-dicarboxaldehyde is a fluorogenic derivatizing agent for amines.

REFERENCES

• Oldreive, C., et al.: Chem. Res. Toxicol., 11, 1574 (1998)
• Grishko, V., et al.: J. Biol. Chem., 284, 9132 (1998)