ethyl nitrite

• ChemBase ID: 127331
• Molecular Formular: C2H5NO2
• Molecular Mass: 75.0666
• Monoisotopic Mass: 75.03202841
• SMILES: O=NOCC
• Canonical SMILES: CCON=O
• InChI: InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
• InChIKey: QQZWEECEMNQSTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl nitrite
• IUPAC Traditional name: ethyl nitrite
• Synonyms: Ethyl alcohol nitrite; Nitrous acid, ethyl ester; Nitrethyl; Ethyl nitrite; Ethyl nitrite solution; 亚硝酸乙酯 溶液

Database IDs

• CAS Number: 109-95-5
• MDL Number: MFCD00010257
• PubChem SID: 24858758; 162221652
• PubChem CID: 8026
• Chemspider ID: 7735
• Wikipedia Title: Ethyl_nitrite
• Flavis Number: 16.017

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9009063
• LogD (pH = 7.4): 0.9009063
• Log P: 0.9009063
• Molar Refractivity: 17.9526 cm^3
• Polarizability: 6.2821474 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 17°C
• Flash Point: 15 °C; 59 °F
• Density: 0.792 g/mL at 25 °C
• Refractive Index: n20/D 1.36; n20/D 1.360

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1194
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1194 3/PG 1
• Storage Temperature: 2-8°C
• Regulation Compliance: FDA 21 CFR (172.515)

Product Information

• Concentration: 10-20 wt. % in ethanol
• Linear Formula: C2H5ONO

DETAILS

Sigma Aldrich - 309923

Packaging
25 g in glass bottle