Perfluorophenyl acetate
Basic information
- CAS
19220-93-0- Standard SMILES
CC(=O)Oc1c(F)c(F)c(F)c(F)c1F- InChIKey
ZXTVBLZVILLKPM-UHFFFAOYSA-N- Molecular formula
- C8H3F5O2
- Average molar mass
- 226.1 g/mol
- Monoisotopic mass
- 226.00532014
Names & identifiers
- Preferred name
- Perfluorophenyl acetate
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) acetate
- English name
- PENTAFLUOROPHENYL ACETATE
- Molecular formula
- C8H3F5O2
- Molecular weight
- 226.1
Names & synonyms
Perfluorophenyl acetateEINECS 242-891-0DTXSID40172795NSC 168737RefChem:860291DTXCID7095286242-891-0Pentafluorophenyl acetate19220-93-0(2,3,4,5,6-pentafluorophenyl) acetateAcetic acid pentafluorophenyl esterPhenol, 2,3,4,5,6-pentafluoro-, 1-acetate
Show more names
PerfluorphenylacetatPentafluorophenyl AcetePentafluorophenyl Acetate >ESSIGSAEURE-PENTAFLUORPHENYLESTERacetic acidpentafluorobenzenesterPentafluorophenyl acetate≥ 98%(GC)
MFCD00015552UNII-TF9CWW5T7QTF9CWW5T7QSCHEMBL570928Phenol, pentafluoro-, acetateNSC-1687372,3,4,5,6-Pentafluoro-phenol 1-acetatePentafluorophenyl acetate, >=97.0% (GC)
Database identifiers
- CAS
19220-93-0- PubChem CID
- 87968
- DTXSID
DTXSID40172795- UNII
- TF9CWW5T7Q
- EC Number
- 242-891-0
- Nikkaji
- J242.743E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 27 · 27-30 °C
- Boiling point
- 59 · 59-60 °C12 mm Hg
- Density
- 1.526 · 1.526±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- form
- powder to lump
- color
- White to Almost white
- BRN
- 1985849 · 1985849
- InChI
- 1S/C8H3F5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3
- InChIKey
- ZXTVBLZVILLKPM-UHFFFAOYSA-N
- SMILES
- CC(=O)Oc1c(F)c(F)c(F)c(F)c1F
- CAS DataBase Reference
- 19220 · 19220-93-0
- FDA UNII
- 9 CWW5T7Q · TF9CWW5T7Q
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 40 reports by companies from 3 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
- F
- 10-21
- wgk
- 3
- hs_code
- 2915.39.2000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…