2,3,5,6-Tetrafluoroanisole
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Basic information
- CAS
2324-98-3- Standard SMILES
COc1c(F)c(F)cc(F)c1F- InChIKey
AXCOCGJDERQVDK-UHFFFAOYSA-N- Molecular formula
- C7H4F4O
- Average molar mass
- 180.1 g/mol
- Monoisotopic mass
- 180.0198274
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrafluoroanisole
- IUPAC
- 1,2,4,5-tetrafluoro-3-methoxybenzene
- English name
- 2,3,5,6-TETRAFLUOROANISOLE
- Molecular formula
- C7H4F4O
- Molecular weight
- 180.1
Names & synonyms
2,3,5,6-Tetrafluoroanisole2324-98-3572FKY68D2NSC-96891DTXSID70177814RefChem:81368DTXCID30100305219-037-01,2,4,5-Tetrafluoro-3-methoxybenzeneBenzene, 1,2,4,5-tetrafluoro-3-methoxy-MFCD00000311Anisole, 2,3,5,6-tetrafluoro-
Show more names
2,3,5,6-Tetrafluoroanisole 97%2,3,5,6-TETRAFLUOROANISOLE, 97+%2,3,5,6-TETRAFLUOROMETHOXY BENZENE(2Z)-2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]methylidene]-3H-inden-1-one1,2,4,5-Tetrafluoro-3-methoxybenzene, Methyl 2,3,5,6-tetrafluorophenyl ether
2,3,5,6-TetrafluoromethoxybenzeneNSC96891EINECS 219-037-0SCHEMBL448336SCHEMBL716940UNII-572FKY68D22,3,5,6-tetrafluoro-anisoleSCHEMBL18668585
Database identifiers
- CAS
2324-98-3- PubChem CID
- 75351
- DTXSID
DTXSID70177814- UNII
- 572FKY68D2
- EC Number
- 219-037-0
- Nikkaji
- J209.009K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 83 · 83-85 °C
- Boiling point
- 138 °C · 138 °C(lit.)
- Density
- 1.293 g/mL · 1.293 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.428(lit.)
- Flash point
- 107 °F · 107 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.293 · 1.293
- CAS DataBase Reference
- 2324 · 2324-98-3(CAS DataBase Reference)
- FDA UNII
- 572 FKY68D2 · 572FKY68D2
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
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
Warning
H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29093090
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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