3-Chloro-2-(4-chlorophenyl)-4,4,4-trifluoro-2-butenal
Basic information
- CAS
185389-58-6- Standard SMILES
O=CC(=C(Cl)C(F)(F)F)c1ccc(Cl)cc1- InChIKey
VRKKYEVKEFVYFG-UHFFFAOYSA-N- Molecular formula
- C10H5Cl2F3O
- Average molar mass
- 269.04 g/mol
- Monoisotopic mass
- 267.9669547
Names & identifiers
- Preferred name
- 3-Chloro-2-(4-chlorophenyl)-4,4,4-trifluoro-2-butenal
- IUPAC
- 3-chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal
- English name
- 3-Chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal 98
- Molecular formula
- C10H5Cl2F3O
- Molecular weight
- 269.05
Names & synonyms
185389-58-6C10H5Cl2F3O3-chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal3-chloro-2-(4-chlorophenyl)-4,4,4-trifluoro-2-butenalSCHEMBL2557333DTXSID906941393-chloro-2-(4-chlorophenyl)-4,4,4-trifluoro-but-2-enal(2E)-3-Chloro-2-(4-Chlorophenyl)-4,4,4-Trifluoro-2-Butenal3-Chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal 983-Chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal 98%3-Chloro-2-(4-chlorophenyl)-4,4,4-trifluorobut-2-enal 98%Benzeneacetaldehyde, 4-chloro-α-(1-chloro-2,2,2-trifluoroethylidene)-
Database identifiers
- CAS
185389-58-6- PubChem CID
- 53395412
- DTXSID
DTXSID90694139
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 304.995 · 304.995±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2912190090 · 2912190090
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
- hs_code
- 2912190090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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