Basic information
- CAS
367-23-7- Standard SMILES
Fc1ccc(F)c(F)c1- InChIKey
PEBWOGPSYUIOBP-UHFFFAOYSA-N- Molecular formula
- C6H3F3
- Average molar mass
- 132.08 g/mol
- Monoisotopic mass
- 132.01868476
Names & identifiers
- Preferred name
- 1,2,4-Trifluorobenzene
- IUPAC
- 1,2,4-trifluorobenzene
- English name
- 1,2,4-Trifluorobenzene
- Molecular formula
- C6H3F3
- Molecular weight
- 132.08
Names & synonyms
1,2,4-Trifluorobenzene367-23-7Benzene, 1,2,4-trifluoro-1,3,4-TrifluorobenzeneUNII-QWW4HNQ0L1QWW4HNQ0L11,2,5-trifluorobenzeneEINECS 206-684-9NSC-10263DTXSID30190140NSC 10263RefChem:71553
Show more names
Trifluorobenzene21,2,4-TrifL1,2,4-fluorobenzene1,2,4-TrifluorobenzeAtogepant Impurity 351,2,4-Trifluorobenzene99%1,2,4-Trifluorobenzene 99%
DTXCID40112631206-684-9PEBWOGPSYUIOBP-UHFFFAOYSA-NMFCD000003051,2,5-Trifluorobenzene; 1,3,4-Trifluorobenzene; NSC 10263NSC102631,4-TrifluorobenzeneBenzene,2,4-trifluoro-
Database identifiers
- CAS
367-23-7- PubChem CID
- 67773
- DTXSID
DTXSID30190140- UNII
- QWW4HNQ0L1
- EC Number
- 206-684-9
- Nikkaji
- J149.716B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.3
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
LogP2.34
Physicochemical properties
- Boiling point
- 88 °C/759 · 88 °C/759 mmHg (lit.)
- Density
- 1.264 g/mL · 1.264 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.423(lit.)
- Flash point
- 40 °F · 40 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly)
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.264 · 1.264
- BRN
- 2042865 · 2042865
- InChI
- InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H
- InChIKey
- PEBWOGPSYUIOBP-UHFFFAOYSA-N
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 48 reports by companies from 8 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
- safety_code
- 16-26-36-7-33-29-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
Chemistry & industry
Applications
Uses1,2,4-Trifluorobenzene can be used as composite membranes with improved performance and durability.
General DescriptionInfrared absorption spectrum of liquid 1,2,4-trifluorobenzene has been investigated using LiF, NaCl, KBr and KRS-5 prisms. The microwave spectrum of 1,2,4-trifluorobenzene has been investigated at dry ice temperature in the frequency range of 8 to 12.4GHz.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
2 records
Compound notes
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