Acetaldehyde-O-pentafluorobenzyloxime
Basic information
- CAS
114611-59-5- Standard SMILES
CC=NOCc1c(F)c(F)c(F)c(F)c1F- InChIKey
AKDRYEADQPNLOH-UHFFFAOYSA-N- Molecular formula
- C9H6F5NO
- Average molar mass
- 239.14 g/mol
- Monoisotopic mass
- 239.03695463
Overview
derivative for gas chromatographic determination
Names & identifiers
- Preferred name
- Acetaldehyde-O-pentafluorobenzyloxime
- IUPAC
- N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
- English name
- PFBOA-ACETALDEHYDE
- Molecular formula
- C9H6F5NO
- Molecular weight
- 239.14
Names & synonyms
Acetaldehyde-O-pentafluorobenzyloximeDTXSID101335112Acetaldehyde-O-pfboRefChem:551524DTXCID001764803114611-59-5Acetaldehyde oxime, o-[(pentafluorophenyl)methyl]-(1E)-Ethanal o-(2,3,4,5,6-pentafluorobenzyl)oxime #AKDRYEADQPNLOH-UHFFFAOYSA-NN-[(Pentafluorophenyl)methoxy]ethanimineacetaldehyde-O-[(2,3,4,5,6-pentafluorophenyl)methyl]oximePFBOA-ACETALDEHYDE
Show more names
PFBOA-ACETALDEHYDE STANDARDAcetaldehyde O-2,3,4,5,6-PFBHA-oximeAcetaldehyde-O-pentafluorophenylmethyl-oximeN-Ethylidene[(2,3,4,5,6-pentafluorobenzyl)oxy]amineN-Ethylidene-O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamineAcetaldehyde, O-[(2,3,4,5,6-pentafluorophenyl)methyl]oxime
Database identifiers
- CAS
114611-59-5- PubChem CID
- 195097
- DTXSID
DTXSID101335112- EC Number
- 635-005-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 213.3 · 213.3±50.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- Henry's Law Constant
- 1.9 · 1.9×10-2 mol/(m3Pa) at 25℃, Destaillats and Charles (2002)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…