1-Fluoro-3-(trifluoromethoxy)benzene
Basic information
- CAS
1077-01-6- Standard SMILES
Fc1cccc(OC(F)(F)F)c1- InChIKey
AUKDFDQPJWJEDH-UHFFFAOYSA-N- Molecular formula
- C7H4F4O
- Average molar mass
- 180.1 g/mol
- Monoisotopic mass
- 180.0198274
Names & identifiers
- Preferred name
- 1-Fluoro-3-(trifluoromethoxy)benzene
- IUPAC
- 1-fluoro-3-(trifluoromethoxy)benzene
- English name
- 3-(Trifluoromethoxy)fluorobenzene
- Molecular formula
- C7H4F4O
- Molecular weight
- 180.1
Names & synonyms
1-fluoro-3-(trifluoromethoxy)benzeneRefChem:432792675-123-11077-01-63-(Trifluoromethoxy)fluorobenzene3-(Trifluoromethoxy) fluorobenzeneMFCD002363231-fluoro-3-trifluoromethoxybenzene1-fluoro-3-trifluoromethoxy-benzene3-Fluorophenyl trifluoromethyl etherAC-26097PS-11656
Show more names
3-Fluorotrifluoromethoxybenzen3-fluorotrifluoromethoxybenzeneM-FLUORO TRIFLUOROMETHOXY BENZENE3-fluoro-1-(trifluoromethoxy)benzeneALPHA,ALPHA,ALPHA,3-TETRAFLUOROANISOLE3-(Trifluoromethoxy)fluorobenzene, 97+%
F0569Benzene, 1-fluoro-3-(trifluoromethoxy)-M-FLUOROTRIFLUOROMETHOXYBENZENE1-FLUORO-3- (TRIFLUOROMETHOXY)BENZENESCHEMBL254534SCHEMBL407346SCHEMBL899948SCHEMBL900026
Database identifiers
- CAS
1077-01-6- PubChem CID
- 2777286
- DTXSID
DTXSID20380452- EC Number
- 675-123-1
- Nikkaji
- J2.650.042G
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 145
Physicochemical properties
- Boiling point
- 78 · 78-80°C
- Density
- 1.33 · 1.33
- refractive index
- 1.391 to · 1.3910 to 1.3950
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 1077 · 1077-01-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi,F
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 1993 · 1993
- Hazard Note
- Irritant
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2909309090
- risk_code
- 11-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- hazard_note
- Irritant
- safety_code
- 16-26-36/37/39
- hazard_class
- FLAMMABLE
- packing_group
- II
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses3-(Trifluoromethoxy)fluorobenzene is a fluorinated organobenzene compound that can be used as a photoredox catalyst and in fluorine decarboxylation reactions. It is also used as a NaV inhibitor pharmaceutical intermediate compound.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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