3-iodobenzoyl chloride

• ChemBase ID: 179968
• Molecular Formular: C7H4ClIO
• Molecular Mass: 266.46353
• Monoisotopic Mass: 265.89954043
• SMILES: C(=O)(c1cc(ccc1)I)Cl
• Canonical SMILES: Ic1cccc(c1)C(=O)Cl
• InChI: InChI=1S/C7H4ClIO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
• InChIKey: DTELTOREECFDBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodobenzoyl chloride
• IUPAC Traditional name: 3-iodobenzoyl chloride
• Synonyms: 3-Iodobenzoyl chloride; 3-Iodobenzoyl chloride; 3-碘苯甲酰氯

Database IDs

• CAS Number: 1711-10-0
• EC Number: 216-979-4
• MDL Number: MFCD02093934
• Beilstein Number: 1860418
• PubChem SID: 164235878
• PubChem CID: 74378

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.093103
• LogD (pH = 7.4): 3.093103
• Log P: 3.093103
• Molar Refractivity: 50.5352 cm^3
• Polarizability: 19.391233 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 23-25°C
• Boiling Point: 159-160°C/23mm
• Refractive Index: 1.6415

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 96%