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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
Assay:
90%
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Quality Segment

200

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

SMILES string

CC(C)(C)ON=O

InChI

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

InChI key

IOGXOCVLYRDXLW-UHFFFAOYSA-N

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.

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

Other Notes

remainder 2-methyl-2-propanol

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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

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