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2,6-DIISOPROPYL-4-NITROANILINE, also known as DINAN, is a chemical compound with the molecular formula C13H19N3O2. It is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. 2,6-DIISOPROPYL-4-NITROANILINE is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, as well as in the production of dyes, pigments, and other organic compounds. It is considered to be of low toxicity, but proper safety guidelines should be followed during its handling in industrial settings.

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  • 163704-72-1 Structure
  • Basic information

    1. Product Name: 2,6-DIISOPROPYL-4-NITROANILINE
    2. Synonyms: 2,6-DIISOPROPYL-4-NITROANILINE
    3. CAS NO:163704-72-1
    4. Molecular Formula: C12H18N2O2
    5. Molecular Weight: 222.28
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 163704-72-1.mol
  • Chemical Properties

    1. Melting Point: 125-126 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
    2. Boiling Point: 333 °C at 760 mmHg
    3. Flash Point: 155.2 °C
    4. Appearance: /
    5. Density: 1.091 g/cm3
    6. Vapor Pressure: 0.000141mmHg at 25°C
    7. Refractive Index: 1.555
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 0.70±0.20(Predicted)
    11. CAS DataBase Reference: 2,6-DIISOPROPYL-4-NITROANILINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2,6-DIISOPROPYL-4-NITROANILINE(163704-72-1)
    13. EPA Substance Registry System: 2,6-DIISOPROPYL-4-NITROANILINE(163704-72-1)
  • 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: 163704-72-1(Hazardous Substances Data)

163704-72-1 Usage

Uses

Used in Pharmaceutical Industry:
2,6-DIISOPROPYL-4-NITROANILINE is used as a synthetic intermediate for the production of various pharmaceuticals. It plays a crucial role in the synthesis of active pharmaceutical ingredients, contributing to the development of new drugs and therapies.
Used in Agrochemical Industry:
In the agrochemical industry, 2,6-DIISOPROPYL-4-NITROANILINE serves as an intermediate in the synthesis of various agrochemicals. It helps in the development of pesticides, herbicides, and other agricultural chemicals that are essential for crop protection and increased agricultural productivity.
Used in Dye and Pigment Industry:
2,6-DIISOPROPYL-4-NITROANILINE is used as a synthetic intermediate in the production of dyes and pigments. It contributes to the creation of a wide range of colorants used in various applications, including textiles, plastics, inks, and coatings.
Used in Organic Compounds Synthesis:
2,6-DIISOPROPYL-4-NITROANILINE is also utilized as an intermediate in the synthesis of other organic compounds. Its unique chemical structure allows it to be a valuable building block in the preparation of various organic molecules for different industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 163704-72-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,3,7,0 and 4 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 163704-72:
(8*1)+(7*6)+(6*3)+(5*7)+(4*0)+(3*4)+(2*7)+(1*2)=131
131 % 10 = 1
So 163704-72-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H18N2O2/c1-7(2)10-5-9(14(15)16)6-11(8(3)4)12(10)13/h5-8H,13H2,1-4H3

163704-72-1SDS

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 4-nitro-2,6-di(propan-2-yl)aniline

1.2 Other means of identification

Product number -
Other names 2,5-DIHYDRO-3-METHYL-1-PHENYL-1H-PHOSPHOLE

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:163704-72-1 SDS

163704-72-1Relevant articles and documents

Synthesis method of diafenthiuron impurity C

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, (2021/07/28)

The invention provides a preparation method of a diafenthiuron impurity C. According to the preparation method of the diafenthiuron impurity C, 2, 6-isopropylaniline, 4-toluenesulfonyl chloride, phenol, N, N-diisopropylethylamine and the like are used as

Facile synthesis of 2,3,5,6-tetrabromo-4-methyl-nitrocyclohexa-2,5-dien-1- one, a mild nitration reagent

Arnatt, Christopher K.,Zhang, Yan

scheme or table, p. 1592 - 1594 (2012/04/10)

Nitrocylcohexadienones have been applied as nitration reagents for mild, mono-nitrating reactions. The original synthesis of 2,3,5,6-tetrabromo-4-methyl- 4-nitrocylcohexa-2,5-dien-1-one appeared to be difficult to pursue due to both the solvent system and

Synthesis and biological activity of novel 4-phenyl-1,8-naphthyridin-2(1H)- on-3-yl ureas: Potent acyl-CoA:cholesterol acyltransferase inhibitor with improved aqueous solubility

Ban, Hitoshi,Muraoka, Masami,Ioriya, Katsuhisa,Ohashi, Naohito

, p. 44 - 48 (2007/10/03)

4-Aryl-1,8-naphthyridin-2(1H)-on-3-yl urea derivatives with hydrophilic groups were synthesized in order to improve aqueous solubility and pharmacokinetic property. SMP-797 possessing (4-aminophenyl)ureido and 3-(hydroxypropoxyphenyl) moieties showed pote

Synthesis of SMP-797: A new potent ACAT inhibitor

Ban, Hitoshi,Muraoka, Masami,Ohashi, Naohito

, p. 10081 - 10092 (2007/10/03)

A potent ACAT (acyl-CoA: cholesterol acyltransferase) inhibitor SMP-797 was effectively synthesized by the urea formation of 3-amino-4-aryl-1,8- naphthyridin-2(1H)-one and 4-amino-2,6-diisopropylamine. The synthesis of the former compound involved the Suzuki coupling reaction as a key step, and the latter was prepared by the 4-selective nitration of 2,6-diisopropylaniline using 2,3,5,6-tetrabromo-4-methyl-4-nitro-2,5-cyclohexadienone.

Substituent effects on edge-to-face aromatic interactions

Carver, Fiona J.,Hunter, Christopher A.,Livingstone, David J.,McCabe, James F.,Seward, Eileen M.

, p. 2847 - 2859 (2007/10/03)

Chemical double mutant cycles have been used to measure the magnitude of edge-to-face aromatic interactions in hydrogen-bonded zipper complexes as a function of substituents on both aromatic rings. The interaction energies vary depending on the combinatio

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