Tert-Butyl nitrite (TBN)

CAS Number: 540-80-7

Molecular Formula: C4H9NO2

About Tert-Butyl nitrite (TBN)

Tert-Butyl nitrite (TBN) is universally used across major manufacturing sectors as a bulk reagent, speciality chemical intermediate, and functional additive. TBN serves as a critical, metal-free, and acid-free reagent to synthesise Active Pharmaceutical Ingredients (APIs) and essential structural scaffolds. ile: Unlike...

Tert-Butyl nitrite (TBN) Specifications

CAS Number

540-80-7

Molecular Formula

C4H9NO2

IUPAC Name

tert-butyl nitrite

Canonical SMILES

CC(C)(C)ON=O

InChI Key

IOGXOCVLYRDXLW-UHFFFAOYSA-N

InChI

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

CAS Number

540-80-7

Molecular Formula

C4H9NO2

IUPAC Name

tert-butyl nitrite

Canonical SMILES

CC(C)(C)ON=O

InChI Key

IOGXOCVLYRDXLW-UHFFFAOYSA-N

InChI

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

Hazard Classes and Categories

Flam. Liq. 2 (100%) Acute Tox. 4 (100%)

GHS Hazard Statements

H225: Highly Flammable liquid and vapor H302: Harmful if swallowed H332: Harmful if inhaled

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501

Diazotization Intermediates

A safe convert primary amines into diazonium salts avoiding volatile, unstable nitrous acid and helps scale classic Sandmeyer and reduction reactions without generating corrosive mineral waste

Heterocyclic Ring Formation

A multi-nitrogen heterocycles like triazoles, tetrazoles, and imidazopyridines, which form the base chemical structures of many commercial blockbuster

Pesticide Intermediates

A specialised nitrogen and oxygen donor to manufacture selective commercial herbicides, fungicides, and insecticides

Oximation Processing

A convert precision of active methylene functional groups into oximes, a key synthetic intermediate stage during commercial agrochemical production

Azo Dyes and Pigments

A vital coupling reagent to synthesise stable azo-linkages for industrial-grade colorants and industrial textiles

Jet Fuel Propellants

A high-performance additive or specialised component within specific monopropellant systems and advanced jet fuel blends to alter combustion properties