2-(2-(Trifluoromethyl)phenyl)acetaldehyde
Basic information
- CAS
21235-63-2- Standard SMILES
O=CCc1ccccc1C(F)(F)F- InChIKey
YJFBOFNEYFSKQC-UHFFFAOYSA-N- Molecular formula
- C9H7F3O
- Average molar mass
- 188.15 g/mol
- Monoisotopic mass
- 188.04489933
Names & identifiers
- Preferred name
- 2-(2-(Trifluoromethyl)phenyl)acetaldehyde
- IUPAC
- 2-[2-(trifluoromethyl)phenyl]acetaldehyde
- English name
- 2-(2-(Trifluoromethyl)phenyl)acetaldehyde
- Molecular formula
- C9H7F3O
- Molecular weight
- 188.15
Names & synonyms
2-(2-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE2-[2-(TRIFLUOROMETHYL)PHENYL]ACETALDEHYDERefChem:453204992-403-121235-63-2MFCD08703369SCHEMBL169420SCHEMBL3810755DTXSID905911792-(Trifluoromethyl)phenylacetaldehydeAKOS012095494AB48487
Show more names
2-(Trifluoromethyl)benzeneacetaldehydeBenzeneacetaldehyde, 2-(trifluoromethyl)-
(2-Trifluoromethyl-phenyl)-acetaldehyde[2-(Trifluoromethyl)phenyl]acetaldehydeSY248514EN300-71828A1-25854Z1020784196
Database identifiers
- CAS
21235-63-2- PubChem CID
- 17834261
- DTXSID
DTXSID90591179- EC Number
- 992-403-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 197.7 · 197.7±35.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36-43
- Safety Statements
- 26 · 26-36/37
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- risk_code
- 22-36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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