2-iodobenzaldehyde

• ChemBase ID: 10641
• Molecular Formular: C7H5IO
• Molecular Mass: 232.01847
• Monoisotopic Mass: 231.93851278
• SMILES: c1ccc(c(c1)C=O)I
• Canonical SMILES: O=Cc1ccccc1I
• InChI: InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H
• InChIKey: WWKKTHALZAYYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodobenzaldehyde
• IUPAC Traditional name: 2-iodobenzaldehyde; o-iodobenzoyl
• Synonyms: 2-Iodobenzaldehyde; 2-Iodobenzaldehyde; 2-碘苯甲醛

Database IDs

• CAS Number: 26260-02-6
• MDL Number: MFCD00039570
• Beilstein Number: 1927296
• PubChem SID: 24879145; 160973948
• PubChem CID: 643439

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6146927
• LogD (pH = 7.4): 2.6146927
• Log P: 2.6146927
• Molar Refractivity: 46.0045 cm^3
• Polarizability: 17.41749 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-37°C; 36-37°C; 36-39 °C(lit.); 37°C
• Boiling Point: 102°C/3mm; 102°C/3mm

Safety Information

• Storage Warning: Air & Light Sensitive; IRRITANT, AIR SENSITIVE, KEEP COLD; Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Linear Formula: IC6H4CHO

DETAILS

MP Biomedicals - 05202851

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 550779

Packaging
1 g in glass bottle