CAS 540-80-7|tert-butyl nitrite|2-Methyl-2-(nitrosooxy)propane|2-methyl-2-propylnitrit|tert-Butyl nitrite|tert-Butyl nitrite|亚硝酸叔丁酯

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

IOGXOCVLYRDXLW-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.598058

LogD (pH = 7.4)

1.598058

Log P

1.598058

Molar Refractivity

27.0096

Polarizability

9.895207

Polar Surface Area

38.66

Rotatable Bonds

Lipinski's Rule of Five

true

2-Methyl-2-(nitrosooxy)propanetert-Butyl nitritetert-Butyl nitrite亚硝酸叔丁酯

IUPAC Traditional name

2-methyl-2-propylnitrit

Highly Flammable/Harmful/Light Sensitive/Keep Cold

Flammable (F)

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235385

Application
Reagent used with azidotrimethylsilane for the preparation of aryl azides from aryl amines.1
Other Notes
remainder 2-methyl-2-propanol
Packaging
25, 100 mL in glass bottle

20370

Other Notes
Reagent for nitrosations, kinetics1; Clean source of Me3C radicals by near-UV photolysis2
Packaging
100, 500 mL in glass bottle

• Reagent for non-aqueous nitrosation and diazotization reactions; cf Isopentyl nitrite, L13909, and Isobutyl nitrite, L05259.

• Aromatic amines have been converted in good yields to aryl halides in the presence of the Cu(II) halide: J. Org. Chem., 42, 2426 (1977); 45, 2570 (1980).

Names and Identifiers

IUPAC name

tert-butyl nitrite

Synonyms

2-Methyl-2-(nitrosooxy)propanetert-Butyl nitritetert-Butyl nitrite亚硝酸叔丁酯

IUPAC Traditional name

2-methyl-2-propylnitrit

Registration numbers

CAS Number

540-80-7

MDL Number

MFCD00002055

Beilstein Number

1209339

PubChem SID

2485219224854101162067860

EC Number

Merck Index

PubChem CID

Molecule Details

235385

Application
Reagent used with azidotrimethylsilane for the preparation of aryl azides from aryl amines.1
Other Notes
remainder 2-methyl-2-propanol
Packaging
25, 100 mL in glass bottle

20370

Other Notes
Reagent for nitrosations, kinetics1; Clean source of Me3C radicals by near-UV photolysis2
Packaging
100, 500 mL in glass bottle

References

PubChem Literature

From Data Sources

• Reagent for non-aqueous nitrosation and diazotization reactions; cf Isopentyl nitrite, L13909, and Isobutyl nitrite, L05259.

• Aromatic amines have been converted in good yields to aryl halides in the presence of the Cu(II) halide: J. Org. Chem., 42, 2426 (1977); 45, 2570 (1980).

Bioactivity

PubChem BioAssay

Safety Statements

16-24-46

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

GHS Hazard statements

H225-H302-H332

MSDS Link

Download link

GHS Precautionary statements

P210

P210-P262-P301-P315-P310

RTECS

RA0802000

Hazard Class

RID/ADR

UN 2351 3/PG 2

GHS Signal Word

Danger

Storage Temperature

2-8°C

UN Number

2351

UN2351

Packing Group

Risk Statements

11-20/22

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

TSCA Listed

否

European Hazard Symbols

Molecule

ID:80740