1-iodonaphthalene

• ChemBase ID: 109767
• Molecular Formular: C10H7I
• Molecular Mass: 254.06705
• Monoisotopic Mass: 253.95924822
• SMILES: Ic1cccc2c1cccc2
• Canonical SMILES: Ic1cccc2c1cccc2
• InChI: InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChIKey: NHPPIJMARIVBGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodonaphthalene
• IUPAC Traditional name: 1-iodonaphthalene
• Synonyms: α-IODONAPHTHALENE; 1-Naphthyl iodide; 1-Iodonaphthalene; 1-Iodonaphthalene; 1-碘代萘; 1-碘萘

Database IDs

• CAS Number: 90-14-2
• EC Number: 201-968-9
• MDL Number: MFCD00003876
• Beilstein Number: 1906415
• PubChem SID: 162089322; 24854293; 24880969
• PubChem CID: 7004

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: 22.764425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: clear very deep brown-yellow liquid (clear)
• Melting Point: 4°C
• Boiling Point: 161-162°C/15mm; 163-165 °C/15 mmHg(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.738; 1.74 g/mL at 25 °C(lit.)
• Refractive Index: 1.7010; n20/D 1.701(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96.0% (GC); 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C10H7I

DETAILS

MP Biomedicals - 05212508

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 238139

Packaging
10, 50 g in glass bottle