selenophene

• ChemBase ID: 145623
• Molecular Formular: C4H4Se
• Molecular Mass: 131.03456
• Monoisotopic Mass: 131.94782113
• SMILES: c1cc[se]c1
• Canonical SMILES: c1ccc[se]1
• InChI: InChI=1S/C4H4Se/c1-2-4-5-3-1/h1-4H
• InChIKey: MABNMNVCOAICNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: selenophene
• IUPAC Traditional name: selenophene
• Synonyms: Selenophene; 硒吩

Database IDs

• CAS Number: 288-05-1
• MDL Number: MFCD00075487
• PubChem SID: 162239828; 24862395
• PubChem CID: 136130

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4805
• LogD (pH = 7.4): 1.4805
• Log P: 1.4805
• Molar Refractivity: 30.5229 cm^3
• Polarizability: 6.3683996 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30 °C(lit.)
• Boiling Point: 110-111 °C(lit.)
• Flash Point: 26.6 °F; -3 °C
• Density: 1.423 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.58(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• GHS Pictograms: GHS02; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H331-H373-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C4H4Se

DETAILS

Sigma Aldrich - 367141

Packaging
1, 5 g in ampule
Application
Building block for electrically conducting polyalkyl selenophene.1