tert-Butyl nitrite - ≥90%, used for tert-Butyl nitrite has been used as reagent:f or diazotization and nitros­ation of alcohols, thiols, amines and cycloalkanes for the preparation of aryl azides from aryl amines Used in the preparation of aryl azides

CAS: 540-80-7 Cat. No.: B106794 Formula: (CH₃)₃CONO Peso molecolare: 103.12 Beilstein Registry Number: 1209339 Numero EC: 208-757-0

GRADE & PURITY ≥90%

Synonyms

tert-butylnitrite | NITROUS ACID, t-BUTYL ESTER | 1,1-Dimethylethyl nitrite | .alpha.,.alpha.-Dimethylethyl nitrite | tert-Butyl nitrite | 4780H7U8LU | CCRIS 2098 | Nitrous Acid tert-Butyl Ester | t-Butyl nitrite | Nitrous acid, 1,1-dimethylethyl ester

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Panoramica

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.

Specifications

Sinonimi

tert-butylnitrite | NITROUS ACID, t-BUTYL ESTER | 1,1-Dimethylethyl nitrite | .alpha.,.alpha.-Dimethylethyl nitrite | tert-Butyl nitrite | 4780H7U8LU | CCRIS 2098 | Nitrous Acid tert-Butyl Ester | t-Butyl nitrite | Nitrous acid, 1,1-dimethylethyl ester

Specifiche e purezza

≥90%

Meccanismi biochimici e fisiologici

Nitrification reagent, kinetics. A clean source of Me3C free radicals generated through near ultraviolet photolysis.

Applicazione

tert-Butyl nitrite has been used as reagent:f or diazotization and nitros­ation of alcohols, thiols, amines and cycloalkanes for the preparation of aryl azides from aryl amines Used in the preparation of aryl azides from aromatic amines together with a

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥90%

Nomi e identificatori

Pubchem Sid

508812363

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812363

Sorrisi canonici

CC(C)(C)ON=O

IUPAC Name

tert-butyl nitrite

InChIKey

IOGXOCVLYRDXLW-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC(C)(C)ON=O

WGK Germania

1

RTECS

RA0802000

Numero UN

2351

Peso molecolare

103.12

Beilstein

1209339

Reaxy-Rn

1209339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic O-nitroso compounds
• Alternative Parents: Alkyl nitrites Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic o-nitroso compound - Alkyl nitrite - Organic nitrite - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organic o-nitroso compounds. These are organic compounds containing a n-nitroso group -ON=O.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Miscible with diethyl ether, chloroform, alcohol and carbon disulfide. Slightly miscible with water. Immiscible with glycerol.
• Sensibilità: Light & heat & air sensitive
• Indice di rifrazione: 1.369
• Punto di infiammabilità (°F): 14 °F
• Punto di infiammabilità (°C): -13°C(lit.)
• Punto di ebollizione (°C): 63°C
• Peso molecolare: 103.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.599
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1