2-fluoro-5-iodobenzaldehyde

• ChemBase ID: 100523
• Molecular Formular: C7H4FIO
• Molecular Mass: 250.0089332
• Monoisotopic Mass: 249.92909097
• SMILES: O=Cc1c(ccc(c1)I)F
• Canonical SMILES: O=Cc1cc(I)ccc1F
• InChI: InChI=1S/C7H4FIO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
• InChIKey: BIRCCQCPGMMGPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-iodobenzaldehyde
• IUPAC Traditional name: 2-fluoro-5-iodobenzaldehyde
• Synonyms: 2-Fluoro-5-iodobenzaldehyde; 2-Fluoro-5-iodobenzaldehyde 97%; 2-氟-5-碘苯甲醛

Database IDs

• CAS Number: 146137-76-0
• MDL Number: MFCD03093999
• PubChem SID: 162086319; 24878675
• PubChem CID: 16217058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7573946
• LogD (pH = 7.4): 2.7573946
• Log P: 2.7573946
• Molar Refractivity: 46.2209 cm^3
• Polarizability: 17.303427 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-46°C; 42-46°C; 45-48 °C(lit.)

Safety Information

• Storage Warning: Air & Light Sensitive; Toxic/Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 97%; 97+%
• Linear Formula: FC6H3(I)CHO

DETAILS

Sigma Aldrich - 543314

Packaging
1 g in glass bottle