20370

tert-Butyl nitrite

technical, ≥90% (GC)

• Synonym(s): 1,1-Dimethylethyl nitrite
• Linear Formula: (CH₃)₃CONO
• CAS Number: 540-80-7
• Molecular Weight: 103.12
• Beilstein/REAXYS Number: 1209339
• EC Number: 208-757-0
• MDL number: MFCD00002055
• UNSPSC Code: 12352100
• PubChem Substance ID: 329752006
• NACRES: NA.22

Properties

• grade: technical
• Quality Level: 200
• assay: ≥90% (GC)
• form: liquid
• impurities: ≤8% tert-butyl alcohol
• refractive index: n20/D 1.368 (lit.); n20/D 1.368
• bp: 61-63 °C (lit.)
• solubility: alcohol: very soluble; chloroform: very soluble; diethyl ether: very soluble; glycerol: insoluble; water: slightly soluble
• density: 0.864 g/mL at 20 °C; 0.867 g/mL at 25 °C (lit.)
• functional group: O-nitroso; nitroso
• storage temp.: 2-8°C
• SMILES string: CC(C)(C)ON=O
• InChI: 1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3
• InChI key: IOGXOCVLYRDXLW-UHFFFAOYSA-N

Description

General description

tert-Butyl nitrite is an organic building block widely used in various organic transformations such as oxidation, diazotization, nitrosation, nitration, oximation, N-synthon, and miscellaneous reactions.

Application

tert-Butyl nitrite can be used as a reactant to synthesize aryl diazonium salts via diazotation.

Other Notes

Reagent for nitrosations, kinetics; Clean source of Me₃C radicals by near-UV photolysis

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H302 + H332
• pcodes: P210 - P233 - P240 - P241 - P301 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 14.0 °F - closed cup
• flash_point_c: -10 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves