3-(Trifluoromethyl)cinnamoyl chloride
Basic information
- CAS
64379-91-5- Standard SMILES
O=C(Cl)C=Cc1cccc(C(F)(F)F)c1- InChIKey
HGQSKTQYEWJJRZ-UHFFFAOYSA-N- Molecular formula
- C10H6ClF3O
- Average molar mass
- 234.6 g/mol
- Monoisotopic mass
- 234.005927
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)cinnamoyl chloride
- IUPAC
- 3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
- English name
- trans-3-(Trifluoromethyl)cinnamoyl chloride
- Molecular formula
- C10H6ClF3O
- Molecular weight
- 234.6
Names & synonyms
3-(Trifluoromethyl)cinnamoyl chloride3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride3-(3-(Trifluoromethyl)phenyl)acryloyl chlorideSCHEMBL1331250SCHEMBL30932120DTXSID40345907HGQSKTQYEWJJRZ-UHFFFAOYSA-NAKOS0252435592-(4-Pyridyl)quinolineCinacalcet Impurity 60ThreefluorineMethyl cinnaMicacid chlorideTRANS-M-TRIFLUOROMETHYL-CINNAMOYL CHLORIDE
Show more names
rans-3-(Trifluoromethyl)cinnamoyl chloridetrans-3-(Trifluoromethyl)cinnamoyl chloride(E)-3-(3-(Trifluoromethyl)phenyl)acryloyl chloride2-Propenoyl chloride, 3-[3-(trifluoromethyl)phenyl]-, (2E)-(E)-3-[3-(Trifluoromethyl)phenyl]acryloyl chloride, (2E)-3-[3-(Trifluoromethyl)phenyl]prop-2-enoyl chloride, 3-[(1E)-3-Chloro-3-oxoprop-1-en-1-yl]benzotrifluoride
Database identifiers
- CAS
64379-91-5- PubChem CID
- 607989
- DTXSID
DTXSID40345907
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 28 · 28-31℃
- Boiling point
- 148 °C60 · 148 °C60 mm Hg(lit.)
- Density
- 1.372 g/mL · 1.372 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 201 °F · 201 °F
- form
- liquid
- color
- Clear, brown
- Sensitive
- Moisture Sensitive
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 303 · P303+P361+P353-P280-P305+P351+P338-P310
- Hazard Codes
- C,Xn
- Risk Statements
- 34 · 34-36/37/38-26
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
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
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2916399090
- risk_code
- 34-36/37/38-26
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- hazard_note
- Harmful
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P303+P361+P353-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesTRANS-3-(TRIFLUOROMETHYL)CINNAMOYL CHLORIDE is a kind of bioactive organic molecules, and its trifluoromethyl group affects polarity and lipid solubility, which can be used in drug research.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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