(Pentafluorophenoxy)acetic acid
Basic information
- CAS
14892-14-9- Standard SMILES
O=C(O)COc1c(F)c(F)c(F)c(F)c1F- InChIKey
SMXPFEBIAASLOR-UHFFFAOYSA-N- Molecular formula
- C8H3F5O3
- Average molar mass
- 242.1 g/mol
- Monoisotopic mass
- 242.00023476
Names & identifiers
- Preferred name
- (Pentafluorophenoxy)acetic acid
- IUPAC
- 2-(2,3,4,5,6-pentafluorophenoxy)acetic acid
- English name
- Pentafluorophenoxyacetic acid
- Molecular formula
- C8H3F5O3
- Molecular weight
- 242.1
Names & synonyms
(Pentafluorophenoxy)acetic acidAcetic acid, (pentafluorophenoxy)-AI3-51209EINECS 238-964-1DTXSID20164138NSC 97010RefChem:406808DTXCID1086629238-964-1Pentafluorophenoxyacetic acid14892-14-92-(Perfluorophenoxy)acetic acid
Show more names
Entafluorophenoxyacetic AcidPentafluorophenoxyaceticAcid>PENTAFLUOROPHENYLOXYACETIC ACIDPentafluorophenoxyacetic acid,97%(Pentafluorophenoxy)aceticacid98%(Pentafluorophenoxy)acetic acid 98%
2-(2,3,4,5,6-pentafluorophenoxy)acetic acid2,3,4,5,6-Pentafluorophenoxyacetic acidTL6BBB4SANMFCD000042972,3,4,5,6-Pentafluorophenoxy acetic acidNSC-97010pentafluorophenyloxyacetic acid2-pentafluorophenoxyacetic acid
Database identifiers
- CAS
14892-14-9- PubChem CID
- 84680
- DTXSID
DTXSID20164138- UNII
- TL6BBB4SAN
- EC Number
- 238-964-1
- Nikkaji
- J208.899A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 108 · 108-110 °C(lit.)
- Boiling point
- 267.6 · 267.6±35.0 °C(Predicted)
- Density
- 1.558 · 1.5580 (estimate)
- pka
- 2.78 · 2.78±0.10(Predicted)
- BRN
- 1888139 · 1888139
- CAS DataBase Reference
- 14892 · 14892-14-9(CAS DataBase Reference)
- FDA UNII
- 6 BBB4SAN · TL6BBB4SAN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HazardClass
- 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 43 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
- wgk
- 3
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…