(ethylselanyl)ethane

• ChemBase ID: 145571
• Molecular Formular: C4H10Se
• Molecular Mass: 137.0822
• Monoisotopic Mass: 137.99477132
• SMILES: CC[Se]CC
• Canonical SMILES: CC[Se]CC
• InChI: InChI=1S/C4H10Se/c1-3-5-4-2/h3-4H2,1-2H3
• InChIKey: ALCDAWARCQFJBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylselanyl)ethane
• IUPAC Traditional name: (ethylselanyl)ethane
• Synonyms: Diethyl selenide; 1,1'-Selenobisethane; Ethyl Selenide; Diethyl Selenium; Diethylmonoselenide; Diethyl Selenide; 二乙基硒

Database IDs

• CAS Number: 627-53-2
• MDL Number: MFCD00015103
• PubChem SID: 24879114; 162239776
• PubChem CID: 61173

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1033
• LogD (pH = 7.4): 1.1033
• Log P: 1.1033
• Molar Refractivity: 33.8087 cm^3
• Polarizability: 8.215604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 108 °C(lit.)
• Flash Point: 22 °C; 71.6 °F
• Density: 1.232 g/mL at 25 °C(lit.)

Safety Information

• RTECS: VS6870000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-23/25-33-50/53
• 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 1992 3/PG 2

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: Se(C2H5)2

DETAILS

Sigma Aldrich - 550434

General description
Atomic number of base material: 34 Selenium
Packaging
5, 25 g in ampule

Toronto Research Chemicals - D444980

Diethyl Selenide is a new volatile selenium agent in fermentation gases produced by composting duck manure. Diethyl Selenide is an air pollutant.

REFERENCES

• Amouroux, D., et al.: Environ. Sci. Technol., 34, 988 (2000)
• Hayes, E., et al.: Biores. Technol., 97, 933 (2000)