1,2,4,5-Tetrafluorobenzene
Basic information
- CAS
327-54-8- Standard SMILES
Fc1cc(F)c(F)cc1F- InChIKey
SDXUIOOHCIQXRP-UHFFFAOYSA-N- Molecular formula
- C6H2F4
- Average molar mass
- 150.07 g/mol
- Monoisotopic mass
- 150.00926271
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrafluorobenzene
- IUPAC
- 1,2,4,5-tetrafluorobenzene
- English name
- 1,2,4,5-Tetrafluorobenzene
- Molecular formula
- C6H2F4
- Molecular weight
- 150.07
Names & synonyms
1,2,4,5-TETRAFLUOROBENZENE327-54-82,3,5,6-TetrafluorobenzeneNSC-10249AB3CL8US2HDTXSID90186367RefChem:71464DTXCID00108858206-319-3Benzene, 1,2,4,5-tetrafluoro-MFCD000003071,4,5-Tetrafluorobenzene
Show more names
1,2,4,5-TetrafLp-Tetrafluorobenzene1,2,4,5-Tetrafluorbenzol1,2,4,5-Tetrafluorobenzylbenzene,1,2,4,5-tetrafluoro-1,2,4,5-Tetrafluorobenzene,98%1,2,4,5-Tetrafluorobenzene 99%1,2,4,5-TETRAFLUOROBENZENE, 99+%
2,5,6-TetrafluorobenzeneBenzene,2,4,5-tetrafluoro-1,2,4,5-tetrafluoro-benzene2,3,5,6-Tetrafluorobenzene;p-Tetrafluorobenzenes104242,3,5,6-Tetrafluorobenzene;NSC 10249;p-Tetrafluorobenzene;NSC10249EINECS 206-319-3
Database identifiers
- CAS
327-54-8- PubChem CID
- 9474
- DTXSID
DTXSID90186367- UNII
- AB3CL8US2H
- EC Number
- 206-319-3
- Nikkaji
- J28K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.3
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
LogP2.44
Physicochemical properties
- Melting point
- 4 °C · 4 °C (lit.)
- Boiling point
- 90 °C · 90 °C (lit.)
- Density
- 1.344 g/mL · 1.344 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.407(lit.)
- Flash point
- 61 °F · 61 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.344 · 1.344
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 1909052 · 1909052
- Henry's Law Constant
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29039990
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-36/37/39-37/39-33-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
Chemistry & industry
Applications
UsesIt is employed as intermediate in organic synthesis. It is also used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
25 records
Compound notes
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