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Merck
CN

235385

tert-Butyl nitrite

90%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854101
EC Number:
208-757-0
Beilstein/REAXYS Number:
1209339
MDL number:
MFCD00002055

Key Documents

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Product Name

tert-Butyl nitrite, 90%

InChI key

IOGXOCVLYRDXLW-UHFFFAOYSA-N

InChI

1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3

SMILES string

CC(C)(C)ON=O

assay

90%

refractive index

n20/D 1.368 (lit.)

bp

61-63 °C (lit.)

solubility

alcohol: very soluble(lit.)
carbon disulfide: very soluble(lit.)
chloroform: very soluble(lit.)
diethyl ether: very soluble(lit.)
glycerol: insoluble (practically)(lit.)
water: slightly soluble(lit.)

density

0.867 g/mL at 25 °C (lit.)

functional group

O-nitroso
nitroso

storage temp.

2-8°C

Quality Level

200

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Application

tert-Butyl nitrite has been used as reagent:
  • for diazotization and nitros­ation of alcohols, thiols, amines and cycloalkanes
  • for the preparation of aryl azides from aryl amines

General description

tert-Butyl nitrite (TBN) is an efficient NO source. TBN participates in photocatalyzed conversion of aryl- and heteroarylamines to selenides. It also participates in radical multifunctionalization reactions of aliphatic alkenes.

Other Notes

remainder 2-methyl-2-propanol

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

14.0 °F - closed cup

flash_point_c

-10 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCG9576
BCCG6710
BCCG6034
BCCF0154
BCCC3995

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The Journal of Organic Chemistry, 42, 3494-3494 (1977)
Karine Barral et al.
Organic letters, 9(9), 1809-1811 (2007-03-30)
[reaction: see text] An efficient and improved procedure for the preparation of aromatic azides and their application in the Cu(I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition ("click reaction") is described. The synthesis of aromatic azides from the corresponding amines is accomplished under mild
The Journal of Organic Chemistry, 42, 2426-2426 (1977)
tert-Butyl Nitrite.
Liu Y.
Synlett, 2011(08), 1184-1185 (2011)
Daisuke Hirose et al.
Beilstein journal of organic chemistry, 9, 1713-1717 (2013-09-26)
Water induces a change in the product of radical multifunctionalization reactions of aliphatic alkenes involving an sp(3) C-H functionalization by an 1,5-hydrogen shift using tert-butyl nitrite and molecular oxygen. The reaction without water, reported previously, gives nitrated γ-lactols, whereas the
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