1,3,5-Trifluorobenzene
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Basic information
- CAS
372-38-3- Standard SMILES
Fc1cc(F)cc(F)c1- InChIKey
JXUKFFRPLNTYIV-UHFFFAOYSA-N- Molecular formula
- C6H3F3
- Average molar mass
- 132.08 g/mol
- Monoisotopic mass
- 132.01868476
Names & identifiers
- Preferred name
- 1,3,5-Trifluorobenzene
- IUPAC
- 1,3,5-trifluorobenzene
- English name
- 1,3,5-Trifluorobenzene
- Molecular formula
- C6H3F3
- Molecular weight
- 132.08
Names & synonyms
1,3,5-TRIFLUOROBENZENE372-38-3sym-TrifluorobenzeneBN94C411F8NSC-10264DTXSID90190686RefChem:72337DTXCID30113177206-751-2Benzene, 1,3,5-trifluoro-MFCD00000333UNII-BN94C411F8
Show more names
1,3,5-Trifluorobenze1,3,5-TrifLTrifluorobenzene31,3,5-TRIFLUOTOBENZENE1,3,5-Trifluorobenzene 98%1,3,5-trifluorobenzoic acid
1,3,5-TRIFLUORO BENZENEEINECS 206-751-21,3,5-trifluorbenzol1,3,5-tri-fluorobenzene1,3,5-Trifluorobenzene #SCHEMBL57470SCHEMBL449836SCHEMBL5167497
Database identifiers
- CAS
372-38-3- PubChem CID
- 9745
- DTXSID
DTXSID90190686- UNII
- BN94C411F8
- EC Number
- 206-751-2
- Nikkaji
- J95.390C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63.3
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure104.0 [mmHg]
Physical DescriptionColorless liquid; [MSDSonline]
Physicochemical properties
- Melting point
- -5.5 °C · -5.5 °C (lit.)
- Boiling point
- 75 · 75-76 °C (lit.)
- Density
- 1.277 g/mL · 1.277 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.414(lit.)
- Flash point
- 19 °F · 19 °F
- storage temp.
- Flammables area
- form
- clear liquid
- Specific Gravity
- 1.277 · 1.277
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 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- 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
- safety_code
- 16-26-36-7-33-29-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
Chemistry & industry
Applications
Uses1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis.
Uses1,3,5-Trifluorobenzene was used in the synthesis of ()-epicatechin and its 3-O-gallate.
General DescriptionRotational Raman spectra of 1,3,5-trifluorobenzene has been studied under high resolution using a single mode argon laser as the exciting source. Proton and fluorine magnetic resonance spectra of 1,3,5-trifluorobenzene in a nematic liquid crystal has been analyzed.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
24 records
Compound notes
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