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20370

Sigma-Aldrich

tert-Butyl nitrite

technical, ≥90% (GC)

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Synonym(s):
1,1-Dimethylethyl nitrite
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

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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L. Batt et al.
International Journal of Chemical Kinetics, 21, 535-535 (1989)
M.J. Crookes et al.
J. Chem. Soc. Perkin Trans. II, 1339-1339 (1988)
tert-Butyl Nitrite (TBN), a Multitasking Reagent in Organic Synthesis
Dahiya A, et al.
Chemistry - An Asian Journal, 14, 4454-4492 (2019)
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
Quantum defects as versatile anchors for carbon nanotube functionalization
Mann F, et al.
Nature Protocols, 17, 727-747 (2022)

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