Pentafluorobenzene
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Basic information
- CAS
363-72-4- Standard SMILES
Fc1cc(F)c(F)c(F)c1F- InChIKey
WACNXHCZHTVBJM-UHFFFAOYSA-N- Molecular formula
- C6HF5
- Average molar mass
- 168.06 g/mol
- Monoisotopic mass
- 167.99984113
Names & identifiers
- Preferred name
- Pentafluorobenzene
- IUPAC
- 1,2,3,4,5-pentafluorobenzene
- English name
- Pentafluorobenzene
- Molecular formula
- C6HF5
- Molecular weight
- 168.06
Names & synonyms
PENTAFLUOROBENZENE363-72-41,2,3,4,5-PentafluorobenzeneBenzene, pentafluoro-EINECS 206-658-7IH36LU53XSBenzene, 1,2,3,4,5-pentafluoro-NSC 88293NSC-88293DTXSID8059893363-88-2Benzene, pentafluoro
Show more names
48945Five fluorinePentafluorobenzolpentafluoro-benzenbenzene,pentafluoro-Pentafluorobenzene>Pentafluorobenzene,99%Pentafluorobenzene,98+%
RefChem:859801DTXCID4039154Benzene, 1,2,3,4,5pentafluoro206-658-7690-865-6C6HF5MFCD00000286UNII-IH36LU53XS
Database identifiers
- CAS
363-72-4、363-88-2- PubChem CID
- 9696
- DTXSID
DTXSID8059893- UNII
- IH36LU53XS
- EC Number
- 206-658-7、690-865-6
- Nikkaji
- J40J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesCoriolis coupling
LogP2.53
Vapor Pressure67.6 [mmHg]
Physical DescriptionColorless liquid; [MSDSonline]
Physicochemical properties
- Melting point
- -48 °C · -48 °C (lit.)
- Boiling point
- 85 °C · 85 °C (lit.)
- Density
- 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.391(lit.)
- Flash point
- 57 °F · 57 °F
- storage temp.
- room temp
- solubility
- 0.4 g/l · 0.4g/l
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.
Danger
H225 (91.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory InformationPentafluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Harmful if swallowed; [MSDSonline]
Hazard Classes and Categories
Flam. Liq. 2 (91.7%)
Flam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DA6651600
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29036990
- risk_code
- 11-22-36/38-36/37/38-41-37/38-39/23/24/25-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,3,4,5-pentafluoro-: ACTIVE
Applications
UsesPentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
26 records
Compound notes
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