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313-72-4

Basic Information
CAS No.: 313-72-4
Name: Octafluoronaphthalene
Article Data: 19
Cas Database
Molecular Structure:
Molecular Structure of 313-72-4 (Octafluoronaphthalene)
Formula: C10F8
Molecular Weight: 272.097
Synonyms: Naphthalene,octafluoro- (6CI,7CI,8CI,9CI);1,2,3,4,5,6,7,8-Octafluoronaphthalene;1,2,3,4,5,6,7,8-Octafluoronaphthlene;Naphthalene,1,2,3,4,5,6,7,8-octafluoro-;Perfluoronaphthalene;Naphthalene, octafluoro-;
EINECS: 206-239-9
Density: 1.73 g/cm3
Melting Point: 85-90 °C
Boiling Point: 237.5 °C at 760 mmHg
Flash Point: 74.3 °C
Solubility: Insoluble in water. Solubility in toluene, almost transparent.
Appearance: White crystal or needle
Hazard Symbols: IrritantXi,DangerousN,HarmfulXn,FlammableF
Risk Codes: 36/37/38-67-65-62-51/53-48/20-11
Safety: 26-36-62-61-36/37-33-29-16-9
Transport Information: UN 1208 3/PG 2
PSA: 0.00000
LogP: 3.95260
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Specification

1. Introduction of Octafluoronaphthalene
Octafluoronaphthalene, with CAS registry number of 313-72-4 is also known as 1,2,3,4,5,6,7,8-Octafluoronaphthalene. The IUPAC name is 1,2,3,4,5,6,7,8-Octafluoronaphthalene. It belongs to product categories of Aryl; Halogenated Hydrocarbons. This chemical is a white crystal or needle.

2. Properties of Octafluoronaphthalene
(1)ACD/LogP: 3.61; (2)ACD/LogD (pH 5.5): 3.61; (3)ACD/LogD (pH 7.4): 3.61; (4)ACD/BCF (pH 5.5): 325.33; (5)ACD/BCF (pH 7.4): 325.33; (6)ACD/KOC (pH 5.5): 2187.42; (7)ACD/KOC (pH 7.4): 2187.42; (8)Index of Refraction: 1.472; (9)Molar Refractivity: 44.04 cm3; (10)Molar Volume: 157.2 cm3; (11)Surface Tension: 30 dyne/cm; (12)Density: 1.73 g/cm3; (13)Flash Point: 74.3 °C; (14)Enthalpy of Vaporization: 45.51 kJ/mol; (15)Boiling Point: 237.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0687 mmHg at 25 °C.

3. Structure Descriptors of Octafluoronaphthalene
1) Canonical SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(=C(C(=C2F)F)F)F
2) InChI: InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
3) InChIKey: JDCMOHAFGDQQJX-UHFFFAOYSA-N

4. Safety Information of Octafluoronaphthalene
Hazard Symbols:IrritantXi,DangerousN,HarmfulXn,FlammableF
Risk Codes:
R36/37/38:Irritating to eyes, respiratory system and skin. 
R67:Vapours may cause drowsiness and dizziness. 
R65:Harmful: may cause lung damage if swallowed. 
R62:Risk of impaired fertility. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R11:Highly flammable.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S36/37:Wear suitable protective clothing and gloves. 
S33:Take precautionary measures against static discharges. 
S29:Do not empty into drains. 
S16:Keep away from sources of ignition.

5. Preparation of Octafluoronaphthalene
Octafluoronaphthalene is prepared by reaction of octadecafluoro-decahydro-naphthalene. The reaction needs reagents CoCp2, LiO3SCF3 and solvent diethyl ether at ambient temperature for 12 hours. The yield is about 53%.

Naphthalene,1,2,3,4,5,6,7,8-octafluoro- is prepared by reaction of octadecafluoro-decahydro-naphthalene.

6. Use of Octafluoronaphthalene
Octafluoronaphthalene is used to produce perfluor-1,5-diphenylnaphthalin by reaction with pentafluorobenzene. The reaction occurs with reagent SbF5 at the temperature of 50-51 °C for 66 hours. The yield is about 88%.

Naphthalene,1,2,3,4,5,6,7,8-octafluoro- is used to produce perfluor-1,5-diphenylnaphthalin by reaction with pentafluorobenzene.

7. Other details of Octafluoronaphthalene
When you are using Octafluoronaphthalene, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It has danger of serious damage to health by prolonged exposure through inhalation. Besides, it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment and its vapours may cause drowsiness and dizziness. During using it, wear suitable protective clothing and gloves. Keep away from sources of ignition as this chemical is highly flammable. Avoid release to the environment and take precautionary measures against static discharges. After using it, keep container in a well-ventilated place and do not empty into drains. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or labe. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.