N-(2,2,2-Trifluoroethyl)benzamide
Basic information
- CAS
348-08-3- Standard SMILES
O=C(NCC(F)(F)F)c1ccccc1- InChIKey
MWDZXUOUTGAFAL-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO
- Average molar mass
- 203.16 g/mol
- Monoisotopic mass
- 203.05579836
Names & identifiers
- Preferred name
- N-(2,2,2-Trifluoroethyl)benzamide
- IUPAC
- N-(2,2,2-trifluoroethyl)benzamide
- English name
- Benzamide, N-(2,2,2-trifluoroethyl)-
- Molecular formula
- C9H8F3NO
- Molecular weight
- 203.16
Names & synonyms
n-(2,2,2-trifluoroethyl)benzamide348-08-3RefChem:823739873-313-0SCHEMBL108567SCHEMBL743934SCHEMBL3452834SCHEMBL21461953MWDZXUOUTGAFAL-UHFFFAOYSA-NAKOS008934665EN300-25998259Benzamide, N-(2,2,2-trifluoroethyl)-
Database identifiers
- CAS
348-08-3- PubChem CID
- 17899508
- EC Number
- 873-313-0
- Nikkaji
- J1.779.322E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 295.1 · 295.1±40.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 12.5 · 12.50±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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