998-93-6

Basic information

• Product Name: 4-BROMOHEPTANE
• Synonyms: 4-bromo-heptan;Heptane, 4-bromo-;Heptane,4-bromo-;4-BROMOHEPTANE;4-Bromoheptane,tech.85%;4-BROMOHEPTANE: TECH., 85%;4-BroMoheptane, tech. 85%, reMainder Mainly 3-broMoheptane
• CAS NO: 998-93-6
• Molecular Formula: C₇H₁₅Br
• Molecular Weight: 179.1
• EINECS: 213-653-3
• Mol File: 998-93-6.mol
• Article Data: 6

Chemical Properties

• Melting Point: -4.55°C (estimate)
• Boiling Point: 60-62°C 18mm
• Flash Point: 40°C
• Appearance: /
• Density: 1,14 g/cm3
• Vapor Pressure: 2.18mmHg at 25°C
• Refractive Index: 1.4500
• Water Solubility: Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water.
• BRN: 1697144
• CAS DataBase Reference: 4-BROMOHEPTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMOHEPTANE(998-93-6)
• EPA Substance Registry System: 4-BROMOHEPTANE(998-93-6)

Safety Data

• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 23-24/25
• RIDADR: 1993
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 998-93-6(Hazardous Substances Data)

Usage

Description

4-BROMOHEPTANE is an organic compound with the chemical formula C7H15Br. It is a colorless liquid at room temperature and has a characteristic odor. The presence of the bromine atom in the fourth position of the heptane molecule makes it a valuable intermediate in the synthesis of various organic compounds.

Uses

Used in Chemical Synthesis:
4-BROMOHEPTANE is used as a reagent for the preparation of 4-nitro-heptane. The reaction involves the nitration of 4-bromoheptane using sodium nitrite, which serves as a nitrating agent. This process is important in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
4-BROMOHEPTANE is used as an intermediate in the synthesis of pharmaceutical compounds. Its unique structure allows for the introduction of various functional groups, making it a versatile building block for the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, 4-BROMOHEPTANE is used as a precursor for the synthesis of various agrochemicals, such as insecticides, herbicides, and fungicides. Its ability to be easily modified and functionalized makes it a valuable component in the development of new and effective agrochemical products.
Used in Specialty Chemicals:
4-BROMOHEPTANE is also used in the production of specialty chemicals, such as fragrances, dyes, and other fine chemicals. Its unique properties and reactivity make it an essential component in the synthesis of these high-value products.

InChI:InChI=1/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3

Upstream product

• 589-55-9 heptan-4-ol 
• 589-82-2 heptan-3-ol 
• 142-82-5 n-heptane 
• 10035-10-6 hydrogen bromide 
• 40754-97-0 N-4-heptylbenzamide 
• 7789-69-7 phosphorus pentabromide 

Downstream Products

• 255714-16-0 (1-propyl-butyl)-malonic acid monoethyl ester 
• 13310-75-3 di-N-propyl acetonitrile 
• 100532-71-6 4-(1-propyl-butyl)-resorcinol 
• 257292-10-7 methyl 4-amino-3-(4-heptyloxy)benzoate 
• 91982-74-0 nitrous acid-(1-propyl-butyl ester) 
• 99420-88-9 4-nitrooxy-heptane 
• 592-78-9 hept-3-ene 
• 2625-37-8 4-Heptyl nitrate 
• 142-82-5 n-heptane 
• 476645-29-1 C₃₁H₄₃F₆N₃OSi 
• 476645-30-4 C₂₅H₂₉F₆N₃O 
• 949536-09-8 C₃₁H₄₆N₄OSi 
• 949536-18-9 C₂₅H₃₂N₄O 

Relevant articles and documents

Rapid oxidation of 1,2-diols, α-hydroxyketones and some alcohols using N-bromosuccinimide in ionic liquid

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Chemoselective monobromination of alkanes promoted by unactivated MnO 2

Reaction of alkanes with bromine promoted by unactivated MnO2 gave the corresponding alkylbromides in excellent yield with good chemoselectivity. The MnO2 could be easily recovered and reused.

Bromination of Alcohols by Boron Tribromide

Boron tribromide was used as a brominating agent for the conversion of alcohols to bromides.Tertiary alcohols were more reactive than secondary alcohols which were more reactive than primary alcohols.