Basic information
- CAS
478081-29-7- Standard SMILES
OC(CNCc1ccc(Cl)cc1Cl)C(F)(F)F- InChIKey
MJEADNLRSYFUMN-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2F3NO
- Average molar mass
- 288.09 g/mol
- Monoisotopic mass
- 287.0091538
Names & identifiers
- Preferred name
- 3-[(2,4-Dichlorobenzyl)amino]-1,1,1-trifluoro-2-propanol
- IUPAC
- 3-[(2,4-dichlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
- English name
- 3-[(2,4-DICHLOROBENZYL)AMINO]-1,1,1-TRIFLUORO-2-PROPANOL
- Molecular formula
- C10H10Cl2F3NO
- Molecular weight
- 288.09
Names & synonyms
478081-29-73-[(2,4-dichlorobenzyl)amino]-1,1,1-trifluoro-2-propanol3-{[(2,4-dichlorophenyl)methyl]amino}-1,1,1-trifluoropropan-2-olMFCD018717123-((2,4-Dichlorobenzyl)amino)-1,1,1-trifluoropropan-2-ol3-[(2,4-dichlorophenyl)methylamino]-1,1,1-trifluoropropan-2-olBionet2_000674C10H10Cl2F3NOHMS1365O14AKOS005101969CS-03654048P-029
Show more names
2-Propanol, 3-[[(2,4-dichlorophenyl)methyl]amino]-1,1,1-trifluoro-
3-[(2,4-dichlorophenyl)methylamino]-1,1,1-trifluoro-propan-2-ol
Database identifiers
- CAS
478081-29-7- PubChem CID
- 3779629
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 363.6 · 363.6±42.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 12 · 12.00±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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