2-iodoethan-1-ol

• ChemBase ID: 104188
• Molecular Formular: C2H5IO
• Molecular Mass: 171.96497
• Monoisotopic Mass: 171.93851278
• SMILES: OCCI
• Canonical SMILES: OCCI
• InChI: InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2
• InChIKey: QSECPQCFCWVBKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodoethan-1-ol
• IUPAC Traditional name: ethanol, 2-iodo-
• Synonyms: 2-Iodoethanol; 2-IODOETHANOL; Ethylene iodohydrin; 2-Hydroxy-1-iodoethane; 2-碘乙醇

Database IDs

• CAS Number: 624-76-0
• EC Number: 210-861-6
• MDL Number: MFCD00002830
• Beilstein Number: 1098258
• PubChem SID: 162092448; 24850603
• PubChem CID: 12225

CALCULATED PROPERTIES

• Acid pKa: 15.030041
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6057783
• LogD (pH = 7.4): 0.6057783
• Log P: 0.6057783
• Molar Refractivity: 25.9908 cm^3
• Polarizability: 10.385331 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85 °C/25 mmHg(lit.); 85°C/25mm
• Flash Point: 149 °F; 65 °C; 65°C(149°F)
• Density: 2.2 g/ml; 2.202; 2.205 g/mL at 25 °C(lit.)
• Refractive Index: 1.5720; n20/D 1.572(lit.)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Light Sensitive
• RTECS: KL3820000
• European Hazard Symbols: Toxic (T); Highly toxic (T+); Harmful (Xn)
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; I
• Risk Statements: 25; 25-27-68; R:22
• Safety Statements: 27/28-36/37/39-45-60; 45; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H300; H300-H310-H341-H227
• GHS Precautionary statements: P260-P280H-P302+P352-P309-P310; P264-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%; 99%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: ICH2CH2OH

DETAILS

MP Biomedicals - 02155058

1 ml = approx. 2.2 g

Sigma Aldrich - 176850

Packaging
5, 25 g in glass bottle