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20370

Sigma-Aldrich

tert-Butyl nitrite

technical, ≥90% (GC)

Synonym(s):

1,1-Dimethylethyl nitrite

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About This Item

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

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.)

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

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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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302 + H332

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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M.J. Crookes et al.
J. Chem. Soc. Perkin Trans. II, 1339-1339 (1988)
L. Batt et al.
International Journal of Chemical Kinetics, 21, 535-535 (1989)
Brenden Kilpatrick et al.
Chemical communications (Cambridge, England), 49(5), 514-516 (2012-12-01)
A methodology for the efficient conversion of aromatic sulfonamides into their mono-nitro derivatives using tert-butyl nitrite is reported. The reaction exhibits a high degree of chemoselectivity for sulfonamide functionalized aryl systems, even in the presence of other sensitive or potentially

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