2-iodonaphthalene

• ChemBase ID: 16021
• Molecular Formular: C10H7I
• Molecular Mass: 254.06705
• Monoisotopic Mass: 253.95924822
• SMILES: c1ccc2c(c1)cc(cc2)I
• Canonical SMILES: Ic1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H7I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• InChIKey: FRNLBIWVMVNNAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodonaphthalene
• IUPAC Traditional name: 2-iodonaphthalene
• Synonyms: 2-Iodonaphthalene; 2-Iodonaphthalene; 2-碘萘

Database IDs

• CAS Number: 612-55-5
• MDL Number: MFCD00021590
• Beilstein Number: 1905951
• PubChem SID: 160979328
• PubChem CID: 136412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8916671
• LogD (pH = 7.4): 3.8916671
• Log P: 3.8916671
• Molar Refractivity: 55.8707 cm^3
• Polarizability: 22.760042 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-56 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-61
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (HPLC); 98%
• Empirical Formula (Hill Notation): C10H7I

DETAILS

Sigma Aldrich - 690074

Packaging
1, 5 g in glass bottle