(1E)-1-iodohex-1-ene

• ChemBase ID: 141061
• Molecular Formular: C6H11I
• Molecular Mass: 210.05601
• Monoisotopic Mass: 209.99054835
• SMILES: CCCC/C=C/I
• Canonical SMILES: CCCC/C=C/I
• InChI: InChI=1S/C6H11I/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+
• InChIKey: TUAPXMNNQGXDDV-AATRIKPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-1-iodohex-1-ene
• IUPAC Traditional name: (1E)-1-iodohex-1-ene
• Synonyms: trans-1-Iodo-1-hexene; 反-1-碘己烯

Database IDs

• CAS Number: 16644-98-7
• MDL Number: MFCD00798209
• Beilstein Number: 1840329
• PubChem SID: 162235296
• PubChem CID: 5362933

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3925424
• LogD (pH = 7.4): 3.3925424
• Log P: 3.3925424
• Molar Refractivity: 42.905 cm^3
• Polarizability: 16.519684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.509

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90% (GC)
• Grade: technical grade
• Empirical Formula (Hill Notation): C6H11I

DETAILS

Sigma Aldrich - 690961

Packaging
1, 5 g in glass bottle