2-[3-(2,2,2-Trifluoroethoxy)phenyl]acetic acid
Basic information
- CAS
1248311-33-2- Standard SMILES
O=C(O)Cc1cccc(OCC(F)(F)F)c1- InChIKey
NCJHCUKPPQDYCF-UHFFFAOYSA-N- Molecular formula
- C10H9F3O3
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.05037863
Names & identifiers
- Preferred name
- 2-[3-(2,2,2-Trifluoroethoxy)phenyl]acetic acid
- IUPAC
- 2-[3-(2,2,2-trifluoroethoxy)phenyl]acetic acid
- English name
- 2-[3-(2,2,2-trifluoroethoxy)phenyl]acetic acid
- Molecular formula
- C10H9F3O3
- Molecular weight
- 234.17
Names & synonyms
2-[3-(2,2,2-trifluoroethoxy)phenyl]acetic acid1248311-33-22-(3-(2,2,2-trifluoroethoxy)phenyl)acetic acidRefChem:454857819-031-3[3-(2,2,2-Trifluoro-ethoxy)-phenyl]-acetic acidSCHEMBL14987264NCJHCUKPPQDYCF-UHFFFAOYSA-NYZB31133AKOS010658081CS-0308258EN300-112814
Show more names
Benzeneacetic acid, 3-(2,2,2-trifluoroethoxy)-
H279662-[3-(2,2,2-trifluoroethoxy)phenyl]aceticacidA1-01654Z816000408
Database identifiers
- CAS
1248311-33-2- PubChem CID
- 61398274
- EC Number
- 819-031-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 299.6 · 299.6±40.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
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
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…