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CAS RN: 540-80-7 | Product Number: N0357

tert-Butyl Nitrite


Purity: >90.0%(GC)
Synonyms:
  • Nitrous Acid tert-Butyl Ester
Documents:
25ML
€42.00
11   ≥20 
250ML
€324.00
Contact Us ≥20 

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Product Number N0357
Purity / Analysis Method >90.0%(GC)
Molecular Formula / Molecular Weight C__4H__9NO__2 = 103.12  
Physical State (20 deg.C) Liquid
Storage Temperature 0-10°C
Store Under Inert Gas Store under inert gas
Condition to Avoid Light Sensitive,Air Sensitive,Heat Sensitive
CAS RN 540-80-7
Reaxys Registry Number 1209339
PubChem Substance ID 87573709
SDBS (AIST Spectral DB) 3977
Merck Index (14) 1583
MDL Number

MFCD00002055

Specifications
Appearance Colorless to Yellow to Orange clear liquid
Purity(GC) min. 90.0 %
Properties (reference)
Boiling Point 63 °C
Flash point -13 °C
Specific Gravity (20/20) 0.87
Refractive Index 1.37
Solubility in water Slightly soluble,Decomposes in contact with water
Solubility (miscible with) Alcohol
Solubility (very soluble in) Ether,Chloroform
GHS
Pictogram Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H302 + H332 : Harmful if swallowed or if inhaled.
H370 : Causes damage to organs.
H225 : Highly flammable liquid and vapour.
Precautionary Statements P260 : Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.
P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
P233 : Keep container tightly closed.
P264 : Wash skin thoroughly after handling.
P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.
P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.
Related Laws:
EC Number 208-757-0
RTECS# RA0802000
Transport Information:
UN Number UN2351
Class 3
Packing Group II
HS Number 2920907090
Application
Generation of Benzynes using tert-Butyl Nitrite and Click Reaction with Aromatic Azides

N0357

Reference


Application
Sandmeyer-type Halogenation Reaction

Typical Procedure:
1. Chlorination:1)
To a mixture of copper(II)chloride (24.35 g, 181.2 mmol), dry acetonitrile (200 mL) and tert-butyl nitrite (25.7 mL, 226.5 mmol), a solution of 4-bromo-2-chloro-5-fluoroaniline (33.9 g, 151 mmol) in dry acetonitrile (200 mL) is added at 60 ℃ under nitrogen. The mixture is stirred for 30 min at 60 ℃, followed by cooling to room temperature and addition of 2M HCl (400 mL). The phases are separated, and the water phase is extracted with diethyl ether (150 mL). The combined organic phases are washed with water and dried over MgSO4. The organic phase is concentrated on the rotary evaporator and is distilled at 150 ℃/ 20 mbar, yielding colourless oil (30 g, 111 mmol, 72% yield, 90% purity).
2. Bromination:2)
Anhydrous copper(II) bromide (6.8 g, 30.5 mmol), tert-butyl nitrite (4.3 mL, 36 mmol), and anhydrous acetonitrile (150 mL) are added to a three-neck round-bottom flask, and the mixture is heated to 65 ℃. 2,7-Diamino-9,10-anthraquinone (2.9 g, 12 mmol) is added slowly over a period of 5 min to the reaction mixture. Nitrogen is evolving during the reaction. After nitrogen evolution have subsided, the reaction mixture is cooled to room temperature and poured into an aqueous 20% HCl solution (100 mL). The crude solid product is collected, washed with ether, and chromatographed on a silica gel column (hexane : CH2Cl2 = 1: 1) to afford the desired product (2.6 g, Y.60%) as a yellow solid.

References


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