2,2,2-Trifluoro-N-nitroso-N-(2,2,2-trifluoroethyl)ethanamine
Basic information
- CAS
625-89-8- Standard SMILES
O=NN(CC(F)(F)F)CC(F)(F)F- InChIKey
YUEXLPFBTMPXCY-UHFFFAOYSA-N- Molecular formula
- C4H4F6N2O
- Average molar mass
- 210.08 g/mol
- Monoisotopic mass
- 210.02278173
Overview
biologically inactive; structure given in first source
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-N-nitroso-N-(2,2,2-trifluoroethyl)ethanamine
- IUPAC
- N,N-bis(2,2,2-trifluoroethyl)nitrous amide
- English name
- N-nitrosobis(2,2,2-trifluoroethyl)amine
- Molecular formula
- C4H4F6N2O
- Molecular weight
- 210.08
Names & synonyms
N-Nitrosobis(2,2,2-trifluoroethyl)amine625-89-82,2,2-trifluoro-N-nitroso-N-(2,2,2-trifluoroethyl)ethanamineNDEA-F6QG3BFB8FC9RefChem:854372N,N-bis(2,2,2-trifluoroethyl)nitrous amideNITROSOBIS(2,2,2-TRIFLUOROETHYL)AMINEN-Nitrosobis(2,2,2-trifluoroethyl) amine6-F-DenHexafluorodiethylnitrosamineBRN 1790462
Show more names
N-NITROSO-HEXAFLUORODIETHYLAMINEN-Nitrosodi(2,2,2-trifluoroethyl)aminenitroso-bis-(2,2,2-trifluoro-ethyl)-amineN-Nitroso-N-(2,2,2-trifluoroethyl)-2,2,2-trifluoroethanamineUpadacitinib Impurity 129 (N-Nitroso Upadacitinib Impurity 128)
N-Nitroso-bis(2,2,2-trifluoroethyl)amineN-Nitroso-2,2,2,2',2',2'-hexafluorodiethylamineDTXSID7021023YUEXLPFBTMPXCY-UHFFFAOYSA-NDIETHYLAMINE, N-NITROSO-2,2,2,2',2',2'-HEXAFLUORO-Ethanamine, 2,2,2-trifluoro-N-nitroso-N-(2,2,2-trifluoroethyl)-EBC-395130N-nitroso-bis-(2,2,2-trifluoroethyl)amine
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
LogP2.15
Physicochemical properties
- Boiling point
- 139 · 139.0±40.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -13.56 · -13.56±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS08,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H351-H318-H302
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P301+P317, P303+P361+P353, P305+P354+P338, P317, P318, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS08,GHS05
- Hazard statements
- H226-H351-H318-H302
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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