661-11-0

Basic information

• Product Name: 1-FLUOROHEPTANE
• Synonyms: 1-FLUOROHEPTANE;HEPTYL FLUORIDE;N-HEPTYL FLUORIDE;1-fluoro-heptan;1-Fluoroheptane99%;Heptyl fluoride 99%;Heptylfluoride99%
• CAS NO: 661-11-0
• Molecular Formula: C₇H₁₅F
• Molecular Weight: 118.19
• EINECS: 211-545-0
• Product Categories: Alkyl;Alkyl Fluorinated Building Blocks;Building Blocks;Chemical Synthesis;Fluorinated Building Blocks;Halogenated Hydrocarbons;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 661-11-0.mol

Chemical Properties

• Melting Point: -73°C
• Boiling Point: 119.2 °C750 mm Hg(lit.)
• Flash Point: 57 °F
• Appearance: /
• Density: 0.806 g/mL at 25 °C(lit.)
• Vapor Pressure: 20.4mmHg at 25°C
• Refractive Index: n20/D 1.386(lit.)
• CAS DataBase Reference: 1-FLUOROHEPTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-FLUOROHEPTANE(661-11-0)
• EPA Substance Registry System: 1-FLUOROHEPTANE(661-11-0)

Safety Data

• Hazard Codes: F,Xi,T
• Statements: 11-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• RTECS: MJ0700000
• Hazardous Substances Data: 661-11-0(Hazardous Substances Data)

Usage

Uses

1-Fluoroheptane is used as a chemical intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique fluorine atom can be utilized to introduce fluorination into target molecules, which can significantly alter their properties and improve their performance in various applications.
Used in Pharmaceutical Industry:
1-Fluoroheptane is used as a building block for the development of new drugs and drug candidates. The incorporation of fluorine into drug molecules can enhance their lipophilicity, metabolic stability, and bioavailability, leading to improved therapeutic efficacy.
Used in Chemical Synthesis:
1-Fluoroheptane is used as a reagent in the synthesis of various organic compounds, including agrochemicals, dyes, and specialty chemicals. Its fluorinated nature can impart unique properties to the synthesized products, making them suitable for specific applications.
Used in Material Science:
1-Fluoroheptane can be used in the development of new materials with tailored properties, such as improved thermal stability, chemical resistance, or specific interactions with other molecules. Its fluorinated structure can contribute to the overall performance of the material in various industries, including electronics, coatings, and adhesives.

InChI:InChI=1/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Upstream product

• 24767-82-6 1-heptyl 4-methylbenzenesulfonate 
• 629-04-9 1-Bromoheptane 
• 629-06-1 1-Chloroheptane 
• 4282-40-0 1-Iodoheptane 
• 71742-02-4 1-heptyl-2,4,6-triphenyl-pyridinium; fluoride 
• 111-70-6 n-heptan1ol 
• 1550-50-1 1,1,2,2-tetrafluoro-N,N-dimethylethan-1-amine 
• 13910-15-1 heptyl(phenyl)sulfane 
• 111-68-2 1-Heptylamine 

Downstream Products

• 334-43-0 1-chloro-7-fluoro-heptane 
• 629-06-1 1-Chloroheptane 
• 629-04-9 1-Bromoheptane 
• 4282-40-0 1-Iodoheptane 
• 1001-89-4 2-chloroheptane 
• 18589-29-2 2-iodoheptane 
• 1974-04-5 2-bromoheptane 
• 142-82-5 n-heptane 
• 6443-92-1 (Z)-hept-2-ene 
• 14686-13-6 (E)-hept-2-ene 

Relevant articles and documents

Practical and general method for direct synthesis of alkyl fluorides from alcohols under mild conditions

A variety of alcohols were treated with Ph 3P and KF in CCl 4-DMF at room temperature to afford the corresponding fluorides in very good yields. Springer-Verlag 2005.

Fluorinating reactants and process for their preparation

alpha,alpha-Difluoroalkylamines (I) are new. Also new are mixtures (A) containing (a) a broader class of alpha,alpha-difluoroalkylamines (I'), (b) an aprotic tertiary amine having no fluoro atoms in the alpha-position relative to nitrogen and/or a N-heteroaromatic compound and (c) hydrogen fluoride; and some specific dichloro compound intermediates. alpha,alpha-Difluoroalkylamines of formula R1-CF2-NR2R3 (I) are new. R1 = H, 1-12C alkyl, ((2-12C) alkylene-O)n-(1-12C) alkyl, 4-15C aralkyl or 3-14C heteroaryl; n = 1-5; R2, R3 = 4-15C aralkyl or 1-12C alkyl; or R2 + R3 or R1 + R2 and/or R3 = group completing a 3-12C cyclic group; the compounds 1,1-difluoromethyl-N,N-dimethylamine, 1,1-difluoromethyl-N,N-diethylamine, 1,1-difluoromethyl-N,N-diisopropylamine and 1,1-difluoro-N,N-2-trimethyl-1-propanamine are excluded. Independent claims are included for: (a) new mixtures (A) comprising (a) alpha,alpha-difluoroalkylamines of formula R4-CF2-NR5R6 (I'), (b) at least one aprotic tertiary amine having no fluoro atoms in the alpha-position relative to the nitrogen and/or at least one N-heteroaromatic compound and (c) hydrogen fluoride; (b) the preparation of (I) and (A); and (c) the following new geminal dichloro compound intermediates: 1,1-dichloromethyl-N,N-dimethylamine, 1,1-dichloromethyl-N,N-diethylamine, 1,1-dichloromethyl-N,N-diisopropylamine, 1,1-dichloro-N,N-2-trimethyl-1-propanamine, 1,1-dichloro-N,N-2,2-tetramethyl-1-propanamine (VIa), N,N-diethyl-alpha,alpha-dichloro-2,2-dimethyl-1-propanamine, N-(1,1-dichloromethyl)-morpholine, 1,1-dichloro-N,N-dimethyl-phenylmethanamine, N,N-diethyl-alpha,alpha-dichloro-3-pyridyl-methanamine and 2,2-dichloro-1,3,3-trimethylpyrrolidine. R4 = H, 1-12C alkyl, ((2-12C) alkylene-O)n-(1-12C) alkyl, 3-14C aryl or NR7R8; n = 1-5; R7, R8 = 1-8C alkyl; or NR7R8 = 4-7 membered cyclic residue with a total of 3-12C; R5, R6 = 1-12C alkyl; or R5 + R6 or R4 + R5 and/or R6 = group completing a 4-12C cyclic group.

1,1,2,2-Tetrafluoroethyl-N,N-dimethylamine: A new selective fluorinating agent

The title compound has been prepared in 96-98% yield by the reaction of tetrafluoroethylene and dimethylamine. 1,1,2,2-Tetrafluoroethyl-N,N-dimethylamine (1) is found to be an effective reagent for the conversion of alcohols into alkyl fluorides. Reaction of 1 and primary alcohols proceeds with high yield formation of the corresponding alkyl fluorides at elevated temperature. However, the reaction of secondary and tertiary alcohols rapidly takes place at 0-10°C, producing corresponding alkyl fluorides as major product along with some olefins.

Halogen-exchange reactions between alkyl fluorides and boron trihalides or tetrahalides. A convenient synthesis of alkyl halides from alkyl fluorides

A simple and effective method for converting fluoroalkanes to their corresponding chloro-, bromo- and iodo-alkanes using commercially available boron trihalides and titanium tetrahalides is described. - Keywords: Halogen-exchange reactions; Alkyl fluorides; Boron trihalides; Titanium tetrahalides; NMR spectroscopy; Mass spectrometry

Silver Fluoride Supported on Calcium Fluoride. Improved Fluorination and Halofluorination Reactions

Silver fluoride dispersed on the surface of calcium fluoride shows improved fluoride nucleophilicity for halogen exchange and addition to alkenes.

A Facile Method for the Fluorine Substitution of Phenylthio Group via Sulfonium Salts Using Cesium Fluoride

Monofluorinated compounds are easily prepared in good yields by treating phenyl sulfides with methyl fluorosulfonate and cesium fluoride in refluxing dichloromethane, successively.This reaction proceeds under so mild conditions as not to affect the coexisting bromine substituent.

THE FLUORINATION OF ORGANIC SUBSTRATES WITH TETRAPHENYLPHOSPHONIUM HYDROGENDIFLUORIDE

Tetraphenylphosphonium hydrogendifluoride acts as a powerful source of F- in various reactions with organic substrates to give fluorine containing products.

Tetraphenylphosphonium Hydrogendifluoride: a New Source of Fluoride Ion

Tetraphenylphosphonium hydrogendifluoride, a soluble and thermally stable reagent, acts as a source of fluoride ion in a variety of organic reactions.

The Preparation of Primary Alkyl and Benzyl Fluorides from the Corresponding Primary Amines

N-substituted 2,4,6-triphenylpyridinium fluorides (in contrast to these and other tetrafluoroborates) thermolyse to the corresponding primary alkyl and benzyl fluorides.The pyridinium fluorides are made from 2,4,6-triphenylpyrylium fluoride and the relevant amine.

Dialkylaminosulfur trifluorides as fluorinating agents

Dialkylaminosulfur trifluorides such as diethylaminosulfur trifluoride are useful in replacing hydroxyl group and carbonyl oxygen with fluorine in various organic compounds.