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Basic Information
CAS No.: 661-11-0
Name: 1-Fluoroheptane
Article Data: 21
Molecular Structure:
Molecular Structure of 661-11-0 (1-Fluoroheptane)
Formula: C7H15 F
Molecular Weight: 118.195
Synonyms: 1-Fluoroheptane;Heptyl fluoride; n-Heptyl fluoride
Density: 0.806 g/mL at 25 °C(lit.)
Melting Point: -73°C
Boiling Point: 119.2 °C750 mm Hg(lit.)
Flash Point: 57 °F
Hazard Symbols: F,Xi,T
Risk Codes: 11-36/37/38
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of F−.
PSA: 0.00000
LogP: 2.92630
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Chemistry

Molecular Structure of 1-Fluoroheptane (CAS NO.661-11-0):


IUPAC: 1-Fluoroheptane
Molecular Formula:C7H15F
Molecular Weight:118.19
EINECS:211-545-0
Density:0.806 g/mL at 25oC(lit.)
Melting Point:-73oC
Flash Point:57oF
Boiling Point:119.2oC at 750 mm Hg(lit.)
Refractive index:n20/D 1.386(lit.)
SMILES:FCCCCCCC 
InChI:InChI=1/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3 
InChIKey:BITLXSQYFZTQGC-UHFFFAOYAE 
Molar Volume:149.5 cm3
Surface Tension:21 dyne/cm
Molar Refractivity:34.64 cm3
Enthalpy of Vaporization:34.13 kJ/mol
Vapour Pressure:20.4 mmHg at 25oC

Toxicity Data With Reference

1.    

ipr-mus LD50:35 mg/kg

     JACSAT    Journal of the American Chemical Society. 79 (1957),2311.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of F−.

Safty informations about 1-Fluoroheptane (CAS NO.661-11-0):
Hazard Codes:FFlammable,XiIrritant,TToxic
Risk Statements:11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:16-26-36
S16:Keep away from sources of ignition.
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR:UN 1993 3/PG 2
WGK Germany:3
RTECS:MJ0700000
Hazard Note:Toxic/Flammable

Specification

 1-Fluoroheptane with cas registry number of 661-11-0 is also known as 1-Fluoroheptane ; Heptyl fluoride ; N-heptyl fluoride ; 1-Fluoro-heptan ; 1-Fluoroheptane99% . The organic compound is a fluorinated hydrocarbon with the appearance of a liquid. 1-Fluoroheptane is used as an intermediate in synthesis of many useful compounds.