Basic information
- CAS
211571-54-9- Standard SMILES
NC(C(F)(F)F)P(=O)(O)O- InChIKey
BPFQMPHPVHHLHD-UHFFFAOYSA-N- Molecular formula
- C2H5F3NO3P
- Average molar mass
- 179.04 g/mol
- Monoisotopic mass
- 178.99591451
Names & identifiers
- Preferred name
- (1-Amino-2,2,2-trifluoro-ethyl)-phosphonic acid
- IUPAC
- (1-amino-2,2,2-trifluoroethyl)phosphonic acid
Names & synonyms
211571-54-9(1-Amino-2,2,2-trifluoro-ethyl)-phosphonic acidRefChem:391972821-634-1(1-amino-2,2,2-trifluoroethyl)phosphonic acidC2H5F3NO3P(1-amino-2,2,2-trifluoro-ethyl)phosphonic AcidSCHEMBL12994415MFCD02692621AKOS008024791alpha-aminotrifluoroethylphosphonic acidCS-0249193
Show more names
(1-Amino-2,2,2-trifluoro-ethyl)-phosphonicacidEN300-4272934
Database identifiers
- CAS
211571-54-9- PubChem CID
- 4429328
- EC Number
- 821-634-1
- Nikkaji
- J963.897K
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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