alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole
Basic information
- CAS
1644-21-9- Standard SMILES
O=[N+]([O-])c1cccc(OC(F)(F)C(F)F)c1- InChIKey
NSXYRKKNVBEZDY-UHFFFAOYSA-N- Molecular formula
- C8H5F4NO3
- Average molar mass
- 239.12 g/mol
- Monoisotopic mass
- 239.02055567
Names & identifiers
- Preferred name
- alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetole
- IUPAC
- 1-nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene
- English name
- 1-Nitro-3-(1,1,2,2-tetrafluoroethoxy)benzene
- Molecular formula
- C8H5F4NO3
- Molecular weight
- 239.12
Names & synonyms
1644-21-91-Nitro-3-(1,1,2,2-tetrafluoroethoxy)benzeneEINECS 216-704-8alpha,alpha,beta,beta-Tetrafluoro-m-nitrophenetoleDTXSID90167757RefChem:555055DTXCID1090248216-704-83-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene3-TetrafluoroethoxynitrobenzeneBenzene, 1-nitro-3-(1,1,2,2-tetrafluoroethoxy)-SCHEMBL9190260
Show more names
3-TETRAFLUOROETHOXYNITROBENZENE 98%3-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene98%3-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene 98%N-[(4-chloro-2-fluoroanilino)-sulfanylidenemethyl]-2-furancarboxamide
SCHEMBL9650877MFCD00042449SBB099059AKOS015852677SB85694NS00047529ST503199121-Nitro-3-(1,1,2,2-tetrafluoroethoxy)-benzene
Database identifiers
- CAS
1644-21-9- PubChem CID
- 74238
- DTXSID
DTXSID90167757- EC Number
- 216-704-8
- Nikkaji
- J195.280C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 93 °C2 · 93 °C2 mm Hg(lit.)
- Density
- 1.455 g/mL · 1.455 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 230 °F · >230 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- HazardClass
- TOXIC
- HS Code
- 2909309090 · 2909309090
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 39 reports by companies from 2 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
- wgk
- 3
- ridadr
- 2810
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-36
- hazard_class
- TOXIC
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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