4,4,4-Trifluoro-3-phenylbut-2-enoic acid
Basic information
- CAS
2143-93-3- Standard SMILES
O=C(O)C=C(c1ccccc1)C(F)(F)F- InChIKey
IZLDRXUDBMVNKB-UHFFFAOYSA-N- Molecular formula
- C10H7F3O2
- Average molar mass
- 216.16 g/mol
- Monoisotopic mass
- 216.03981395
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-phenylbut-2-enoic acid
- IUPAC
- 4,4,4-trifluoro-3-phenylbut-2-enoic acid
- English name
- 3-(E)-(Trifluoromethyl)cinnamic acid
- Molecular formula
- C10H7F3O2
- Molecular weight
- 216.16
Names & synonyms
2143-93-34,4,4-trifluoro-3-phenylbut-2-enoic acidDTXSID70353979RefChem:284712DTXCID003050423-(E)-(trifluoromethyl)cinnamic acid(E)-4,4,4-Trifluoro-3-phenyl-but-2-enoic acid90724-28-0CBMicro_0257124,4,4-TRIFLUORO-3-PHENYL-BUT-2-ENOIC ACIDSCHEMBL3052477beta-trifluoromethylcinnamic acid
Show more names
4,4,4-trifluoro-3-phenyl-2-butenoic acid(Z)-3-phenyl-4,4,4-trifluoro-2-butenoic acid(2Z)-4,4,4-trifluoro-3-phenylbut-2-enoic acid2-Butenoic acid, 4,4,4-trifluoro-3-phenyl-, (2Z)-(2Z)-4,4,4-trifluoro-3-phenylbut-2-enoic acid(SALTDATA: FREE)
AKOS033199718DB-045585
Database identifiers
- CAS
2143-93-3- PubChem CID
- 760495
- DTXSID
DTXSID70353979- EC Number
- 887-367-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 293.823 · 293.823±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.132 · 3.132±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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