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
• Article Data: 10

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

General Description

Specific rotations of chiral conformers of 1-fluoroheptane were computed using an approach in which localization is enforced throughout the orbital optimization and subsequent linear response computation.

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

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.

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.

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.