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| CAS No.: | 363-72-4 |
|---|---|
| Name: | Pentafluorobenzene |
| Article Data: | 291 |
| Molecular Structure: | |
|
|
|
| Formula: | C6HF5 |
| Molecular Weight: | 168.066 |
| Synonyms: | Benzene, pentafluoro-;1,2,3,4,5-Pentafluorobenzene; |
| EINECS: | 206-658-7 |
| Density: | 1.521 g/cm3 |
| Melting Point: | -48 °C(lit.) |
| Boiling Point: | 85.5 °C at 760 mmHg |
| Flash Point: | 13.9 °C |
| Solubility: | Insoluble in water. |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 F,  Xn,  Xi,  T
|
| Risk Codes: | 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25 |
| Safety: | 26-37/39-16-39-45-36/37 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.38210 |
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Chemistry
Molecule structure of Pentafluorobenzene (CAS NO.363-72-4):
IUPAC Name: 1,2,3,4,5-Pentafluorobenzene
Molecular Weight: 168.064156 g/mol
Molecular Formula: C6HF5
Density: 1.521 g/cm3
Melting Point: −48 °C(lit.)
Boiling Point: 85.5 °C at 760 mmHg
Flash Point: 13.9 °C
Index of Refraction: 1.39
Molar Refractivity: 26.22 cm3
Molar Volume: 110.4 cm3
Surface Tension: 23.3 dyne/cm
Enthalpy of Vaporization: 32.15 kJ/mol
Vapour Pressure: 77.3 mmHg at 25 °C
Stability: stable. incompatible with strong oxidizing agents. highly flammable.
XLogP3: 2.5
H-Bond Acceptor: 5
Exact Mass: 167.999841
MonoIsotopic Mass: 167.999841
Canonical SMILES: C1=C(C(=C(C(=C1F)F)F)F)F
InChI: InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N
EINECS: 206-658-7
Product Categories: Fluorobenzene; Aryl; C6; Halogenated Hydrocarbons; Alpha Sort; P; PA - PEN; P-SAlphabetic; Volatiles/ Semivolatiles; Method 624Volatiles/ Semivolatiles; 600 Series Wastewater Methods; EPA
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0559309, |
Safety Profile
Hazard Codes: 
F, 
Xn, 
Xi, 
T
Risk Statements: 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25
R11:Highly flammable.
R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R39:Danger of very serious irreversible effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37/39-16-39-45-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S16:Keep away from sources of ignition.
S39:Wear eye / face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
RTECS: DA6651600
Hazard Note: Flammable
TSCA: T
HazardClass: 3
PackingGroup: III
HS Code: 29036990
Specification
Pentafluorobenzene (CAS NO.363-72-4) is also named as 1,2,3,4,5-Pentafluorobenzene ; NSC 88293 ; Benzene, 1,2,3,4,5-pentafluoro- ; Benzene, pentafluoro- . Pentafluorobenzene (CAS NO.363-72-4) is clear colorless to light yellow liquid.