768-52-5

Basic information

• Product Name: N-Isopropylaniline
• Synonyms: TIMTEC-BB SBB007921;N-(1-Methylethyl)benzenamine;n-phenylisopropylamine;n-ipa;N-ISOPROPYLANILINE;ISO-PROPYLANILINE;2-(PHENYLAMINO)PROPANE;Aniline, N-isopropyl-
• CAS NO: 768-52-5
• Molecular Formula: C₉H₁₃N
• Molecular Weight: 135.21
• EINECS: 212-196-7
• Product Categories: Amines;C9 to C10;Nitrogen Compounds;Alpha sort;Alphabetic;AromaticsPesticides&Metabolites;Chemical Class;H-MAnalytical Standards;I;organic chemical;Fluvastatin;Pharmaceutical Intermediates
• Mol File: 768-52-5.mol
• Article Data: 122

Chemical Properties

• Melting Point: -32°C
• Boiling Point: 55 °C0.3 mm Hg(lit.)
• Flash Point: 185 °F
• Appearance: Clear brown liquid
• Density: 0.934 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.284mmHg at 25°C
• Refractive Index: n20/D 1.539(lit.)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 5.77(at 25℃)
• Water Solubility: <0.01 g/100 mL at 21℃
• BRN: 2205871
• CAS DataBase Reference: N-Isopropylaniline(CAS DataBase Reference)
• NIST Chemistry Reference: N-Isopropylaniline(768-52-5)
• EPA Substance Registry System: N-Isopropylaniline(768-52-5)

Safety Data

• Hazard Codes: T
• Statements: 22-23-36/37/38
• Safety Statements: 26-36-45-7/9
• RIDADR: 2810
• WGK Germany: 3
• RTECS: BY4190000
• TSCA: Yes
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 768-52-5(Hazardous Substances Data)

Usage

Description

N-Isopropylaniline, also known as α-Methyl-N-isopropylaniline, is an organic compound that serves as a chemical intermediate and is used in the dyeing of acrylic fibers. It is a clear light yellow liquid with specific applications across various industries.

Uses

Used in Chemical Industry:
N-Isopropylaniline is used as a chemical intermediate for the synthesis of various compounds and materials. Its role as an intermediate is crucial in the production of different chemicals that find applications in multiple sectors.
Used in Textile Industry:
N-Isopropylaniline is used as a dyeing agent for acrylic fibers. Its ability to impart color and enhance the appearance of textiles makes it a valuable component in the dyeing process, contributing to the aesthetic and functional properties of the final product.
Used in Agricultural Industry:
N-Isopropylaniline is a microbial metabolite of Propachlor, an acylanilide herbicide. It plays a role in maintaining crop protection by helping to control weed growth, which is essential for ensuring the health and productivity of crops. Additionally, it is involved in inducing Glutathione-dependent cytotoxicity and sister chromatid exchanges in human cells, which can have implications for the study of herbicide effects on human health and the environment.

Synthesis Reference(s)

The Journal of Organic Chemistry, 28, p. 3259, 1963 DOI: 10.1021/jo01046a537Tetrahedron, 52, p. 9777, 1996 DOI: 10.1016/0040-4020(96)00503-0

Air & Water Reactions

Insoluble in water.

Reactivity Profile

N-Isopropylaniline neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Hazard

Toxic by inhalation and skin absorption.

Health Hazard

N-isopropylaniline absorption causes methemoglobinemia in animals, and the same effect is expected in humans.

Fire Hazard

N-Isopropylaniline is combustible.

InChI:InChI=1/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3

Upstream product

• 52008-97-6 N-isopropyl-N-phenylformamide 
• 98-95-3 nitrobenzene 
• 67-64-1 acetone 
• 187737-37-7 propene 
• 62-53-3 aniline 
• 75-29-6 isopropyl chloride 
• 67-63-0 isopropyl alcohol 
• 75-26-3 isopropyl bromide 
• 108-86-1 bromobenzene 
• 75-31-0 isopropylamine 
• 563-79-1 2,3-Dimethyl-2-butene 
• 622-37-7 Phenyl azide 
• 102879-24-3 2-methyl-N-phenylaziridine 
• 24642-83-9 N-isopropyl-N-phenylnitrous amide 

Downstream Products

• 40016-69-1 N-isopropyl-N-phenyl-carbamoyl chloride 
• 88876-19-1 N-allyl-N-isopropylaniline 
• 27914-21-2 4-(isopropylamino)benzaldehyde 
• 99-88-7 4-Isopropylaniline 
• 62-53-3 aniline 
• 16466-45-8 N-isopropyl-N-phenylbenzamide 
• 86504-27-0 1-isopropyl-1,3-diphenylurea 
• 180840-30-6 N-propyl-N-isopropylaniline 
• 6248-17-5 N,N-diethyl-N'-isopropyl-N'-phenyl-ethylenediamine 
• 10545-45-6 N-isopropyl-N-methylaniline 
• 98221-66-0 2-(5,7-dibromo-benzo[1,2,5]thiadiazol-4-yloxy)-N-isopropyl-N-phenyl-acetamide 
• 97979-71-0 2-(5,7-dichloro-benzo[1,2,5]thiadiazol-4-yloxy)-N-isopropyl-N-phenyl-acetamide 
• 65957-14-4 C₁₅H₂₄N₂ 
• 31893-58-0 2,2,2-Trichloro-N-[2,2,2-trichloro-1-(isopropyl-phenyl-amino)-ethyl]-acetamide 

Relevant articles and documents

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Reductive amination of ketones/aldehydes with amines using BH3N(C2H5)3as a reductant

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