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

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

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 
• 99-66-1 valproic acid 
• 1542235-39-1 N-(heptan-4-yl)cyclohexanecarboxamide 
• 124-07-2 Octanoic acid 
• 116454-37-6 2-methylheptanoic acid 

Relevant articles and documents

Highly efficient oxidative bromination of alkanes with the HBr-H 2O2 system in the presence of catalyst

Various cycloalkanes and straight-chain alkanes were efficiently brominated with an aqueous HBr-H2O2 system. This oxidative brominating process was promoted by catalysis and irradiation with light. The cycloalkanes were converted to the corresponding bromo-cycloalkanes in moderate yields and the straight-chain alkanes produced dominantly secondary bromides. This simple but effective bromination method of alkanes is characterized by high atom efficiency, inexpensive reagents and the absence of organic waste, which make it a good alternative to the existing method for Ci￡H activation through bromination. A simple, effective, environmentally friendly method was researched for bromination of alkanes in good yield with HBr as the origin of bromine.

Direct bromination and iodination of non-activated alkanes by hypohalite reagents

The direct functionalisation of alkanes through bromination and iodination has been successfully achieved. The combination of stoichiometric mixtures of elemental halogen and sodium alkoxides leads to the formation of alkyl hypobromites and hypoiodites as reagents. The halogenation occurs without external photostimulation under thermal reaction conditions. Georg Thieme Verlag Stuttgart.

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.

ANOMALOUS ORIENTATION EFFECTS DURING BENZOYLOXYLATIONS BY "SILVER BROMIDE DIBENZOATE"

The solid complex formed from bromine and silver benzoate reacts with both arenes and alkenes to form aryl and alkyl benzoates, respectively.Highly unusual substituent effects are observed in the benzoyloxylations of arenes.Electron-withdrawing groups (e.g. -NO2, -CN,-CO-) on the aromatic ring facilitate reaction though directing the attacking reagent exclusively to the meta position.In alkanes, tertiary positions are most prone to attack.