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1-Nitro-4-[1-(nitrooxy)ethyl]benzene, also known as NNEB, is a nitroaromatic chemical compound with the molecular formula C8H8N2O5. It is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. NNEB is commonly used as a starting material in the synthesis of various organic compounds, including dyes, pigments, and pharmaceuticals. It is also utilized as a reagent in the synthesis of other nitrogen-containing compounds. Due to its potential hazards to human health and the environment, it is important to handle NNEB with care.

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  • 10061-22-0 Structure
  • Basic information

    1. Product Name: 1-Nitro-4-[1-(nitrooxy)ethyl]benzene
    2. Synonyms: 1-Nitro-4-[1-(nitrooxy)ethyl]benzene;α-Methyl-4-nitrobenzyl=nitrate
    3. CAS NO:10061-22-0
    4. Molecular Formula: C8H8N2O5
    5. Molecular Weight: 212.1595
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 10061-22-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 340.6°Cat760mmHg
    3. Flash Point: 164.3°C
    4. Appearance: /
    5. Density: 1.377g/cm3
    6. Vapor Pressure: 0.000168mmHg at 25°C
    7. Refractive Index: 1.564
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-Nitro-4-[1-(nitrooxy)ethyl]benzene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Nitro-4-[1-(nitrooxy)ethyl]benzene(10061-22-0)
    12. EPA Substance Registry System: 1-Nitro-4-[1-(nitrooxy)ethyl]benzene(10061-22-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 10061-22-0(Hazardous Substances Data)

10061-22-0 Usage

Uses

Used in Chemical Synthesis Industry:
1-Nitro-4-[1-(nitrooxy)ethyl]benzene is used as a starting material for the synthesis of various organic compounds, such as dyes, pigments, and pharmaceuticals. Its unique chemical structure allows for the formation of a wide range of products through various chemical reactions.
Used in Pharmaceutical Industry:
1-Nitro-4-[1-(nitrooxy)ethyl]benzene is used as a reagent in the synthesis of pharmaceuticals. Its presence in the reaction mixture can facilitate the formation of desired nitrogen-containing compounds, which are often found in various drugs.
Used in Dye and Pigment Industry:
1-Nitro-4-[1-(nitrooxy)ethyl]benzene is used as a starting material in the production of dyes and pigments. Its ability to undergo various chemical reactions enables the creation of a diverse range of colorants for different applications.
Used in Research and Development:
1-Nitro-4-[1-(nitrooxy)ethyl]benzene is used as a research compound in the development of new chemical processes and the synthesis of novel nitrogen-containing compounds. Its unique properties make it a valuable tool for scientists and researchers in the field of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 10061-22-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,0,6 and 1 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 10061-22:
(7*1)+(6*0)+(5*0)+(4*6)+(3*1)+(2*2)+(1*2)=40
40 % 10 = 0
So 10061-22-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H8N2O5/c1-6(15-10(13)14)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3

10061-22-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-nitrophenyl)ethyl nitrate

1.2 Other means of identification

Product number -
Other names 1-(4-Nitro-phenyl)-1-nitryloxy-aethan

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:10061-22-0 SDS

10061-22-0Relevant articles and documents

The nitration of styrenes by nitric acid in dichloromethane

Lewis, Richard J.,Moodie, Roy B.

, p. 563 - 567 (2007/10/03)

Kinetics and products of reaction of 4-R-styrenes (R = Me, H, Cl, CF3, NO2) with nitric acid in dichloromethane are reported. Reaction occurs in the alkene group and aromatic nitration is insignificant. With increasingly electron-withdrawing substituents the reaction changes from one which is third order in nitric acid and gives rise to the 1-arylethyl nitrate, to one which is of higher order in nitric acid and gives rise to the 2-nitro-1-arylethyl nitrate (β-nitro-nitrate). Both reactions proceed through transition states with carbocation character, by initial β-addition of H+ and NO2+ respectively. The β-nitro-nitrate is formed in part also by a radical pathway, as are other minor products.

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