997-95-5

Basic information

• Product Name: N-NITROSODIISOBUTYLAMINE
• Synonyms: 2,2’-dimethyl-n-nitroso-dipropylamin;2,2'-Dimethyldipropylnitrosoamine;Diisobutylamine, N-nitroso-;Diisobutylnitrosamine;di-iso-butylnitrosamine;Dipropylamine, 2,2'-dimethyl-N-nitroso-;Dmdpn;N,N-Diisobutylnitrosamine
• CAS NO: 997-95-5
• Molecular Formula: C₈H₁₈N₂O
• Molecular Weight: 158.24
• EINECS: 213-644-4
• Product Categories: Mutagenesis Research Chemicals;Nitric Oxide Reagents
• Mol File: 997-95-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 237.7±9.0℃ (760 Torr)
• Flash Point: 97.5±18.7℃
• Appearance: /
• Density: 0.92±0.1 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.0681mmHg at 25°C
• Refractive Index: 1.4540 (estimate)
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• PKA: -3.55±0.70(Predicted)
• Stability: Light Sensitive
• CAS DataBase Reference: N-NITROSODIISOBUTYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: N-NITROSODIISOBUTYLAMINE(997-95-5)
• EPA Substance Registry System: N-NITROSODIISOBUTYLAMINE(997-95-5)

Safety Data

• Hazardous Substances Data: 997-95-5(Hazardous Substances Data)

Usage

Description

N-Nitrosodiisobutylamine, a nitrosoamine compound, is known for its carcinogenic properties. It is a chemical compound that has been identified as a potential health risk due to its ability to induce cancer in living organisms.

Uses

Used in Research and Development:
N-Nitrosodiisobutylamine is used as a research chemical in the field of toxicology and cancer research. Its carcinogenic effect makes it a valuable tool for studying the mechanisms of cancer development and testing the efficacy of potential cancer treatments.
Used in Regulatory Compliance and Testing:
Due to its hazardous nature, N-Nitrosodiisobutylamine is also used in regulatory compliance and testing to ensure that consumer products and industrial materials do not contain harmful levels of this compound. This helps to protect public health and maintain safety standards.

InChI:InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3

Upstream product

• 56559-65-0 N-(succinimidomethyl)diisobutylamine 
• 18251-82-6 diisobutylamine hydrochloride 
• 110-96-3 diisobutylamine 
• 543-67-9 n-propyl nitrite 
• 78-81-9 isobutylamine 
• 1116-40-1 triisobutylamine 
• 509-14-8 tetranitromethane 

Downstream Products

• 7147-87-7 1,1-diisobutyl-4-phenyl thiosemicarbazide 
• 92728-22-8 5-Nitro-2-hydroxy-benzal-diisobutylhydrazin 
• 110-96-3 diisobutylamine 
• 16596-38-6 N,N-diisobutylhydrazine 

Relevant articles and documents

Synthesis of N,N-dialkylnitramines from secondary ammonium nitrates in liquid or supercritical carbon dioxide

An efficient explosion-proof method was developed for the preparation of N,N-dialkylnitramines by treatment of dialkylammonium nitrates with a mixture of nitric acid and acetic anhydride in the presence of ZnCl2 in liduid or supercritical carbon dioxide.

Formation of Nitrosamines in Alkaline Conditions: a Kinetic Study of the Nitrosation of Linear and Cyclic Secondary Amines by Nitroalkanes

A study has been made of the nitrosation of sixteen secondary amines, six alkylamines (dimethylamine, diethylamine, dipropylamine, diisopropylamine, dibutylamine, diisobutylamine) and ten cyclic secondary amines (2-methylaziridine, azetidine, pyrrolidine, piperidine, 2-methylpiperidine, homopiperidine, heptamethyleneimine, piperazine, 1-methylpiperazine and morpholine) by nitropropane and nitrobutane in a strongly basic medium (-> = 0.1 mol dm-3).The nitrites were not formed in situ (i.e. in the actual bulk of the reaction medium) but rather were isolated,purified and used in pure form.The rate equation (i) was found v = k2obs (i).The fitting of the experimental results to the Taft correlation points to a nucleophilic attack on nitrite esters by the amines.Analysis of the log k2/pKa and log k2/Ei(v) correlations indicates orbital control of the reactions studied.These results, together with the fact that the reactivity of the different amines diminishes ostensibly when the values of the 13C-H nuclear spin coupling constant in the series of corresponding cycloalkanes increase, show that the overall hybridization of the nitrogen atom in the cycle changes from sp2 in the triangular nucleophile methylaziridine to sp3 in larger cycles.The results obtained at different temperatures and with water-tetrahydrofuran media, together with a study of isotope effects suggest that these reactions occur through a highly ordered transition state and that the role of solvation should not be overlooked.

Kinetic studies on the formation of N-nitroso compounds. VI. The reactivity of N2O3 as a nitrosating agent

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