4-Amino-1,1,1-trifluorobut-3-en-2-one
Basic information
- CAS
184848-89-3- Standard SMILES
N/C=C/C(=O)C(F)(F)F- InChIKey
DHJDPIHFALRNER-UHFFFAOYSA-N- Molecular formula
- C4H4F3NO
- Average molar mass
- 139.08 g/mol
- Monoisotopic mass
- 139.02449824
Names & identifiers
- Preferred name
- 4-Amino-1,1,1-trifluorobut-3-en-2-one
- IUPAC
- (E)-4-amino-1,1,1-trifluorobut-3-en-2-one
- English name
- 4-Amino-1,1,1-trifluoro-3-buten-2-one
- Molecular formula
- C4H4F3NO
- Molecular weight
- 139.08
Names & synonyms
184848-89-34-Amino-1,1,1-trifluorobut-3-en-2-oneRefChem:517378641-320-64-amino-1,1,1-trifluoro-3-buten-2-one(E)-4-amino-1,1,1-trifluorobut-3-en-2-one(E)-4-Amino-1,1,1-trifluoro-but-3-en-2-one120417-45-02289675-00-7MFCD015695884-amino-1,1,1-trifluoro-3-butene-2-one4-Amino-2-oxo-1,1,1-trifluorobut-3-ene
Show more names
2-Trifluoroacetyl vinyl amine(3E)-4-Amino-1,1,1-trifluoro-3-buten-2-one3-Buten-2-one, 4-amino-1,1,1-trifluoro-(3E)-4-amino-1,1,1-trifluorobut-3-en-2-oneSCHEMBL37759904-amino-1,1,1-trifluoro-3-butene-2-one184848-89-3DHJDPIHFALRNER-OWOJBTEDSA-NSBB069913
Database identifiers
- CAS
184848-89-3- PubChem CID
- 5709092
- EC Number
- 641-320-6
- Nikkaji
- J929.131H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 95.3 · 95.3±40.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 4.94 · 4.94±0.70(Predicted)
- Appearance
- Light yellow to yellow Liquid
- CAS DataBase Reference
- 184848 · 184848-89-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2922390090 · 2922390090
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
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, 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.
Safety data
- hs_code
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Suppliers
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Compound notes
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