3-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
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Basic information
- CAS
880882-07-5- Standard SMILES
COCCOc1cc(N)cc(C(F)(F)F)c1- InChIKey
SHBJHWPHTVJNQG-UHFFFAOYSA-N- Molecular formula
- C10H12F3NO2
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.08201311
Names & identifiers
- Preferred name
- 3-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
- IUPAC
- 3-(2-methoxyethoxy)-5-(trifluoromethyl)aniline
- English name
- 3-(2-Methoxyethoxy)-5-(trifluoromethyl)benzenamine
- Molecular formula
- C10H12F3NO2
- Molecular weight
- 235.2
Names & synonyms
3-(2-methoxyethoxy)-5-(trifluoromethyl)aniline880882-07-5RefChem:491123974-964-43-(2-Methoxyethoxy)-5-(trifluoromethyl)benzenamineMFCD24344341SCHEMBL1012090AKOS021315315KS-8014SB81183DB-182621EN300-10900036
Show more names
Benzenamine, 3-(2-methoxyethoxy)-5-(trifluoromethyl)-
F096873A1-16538Z1558582135
Database identifiers
- CAS
880882-07-5- PubChem CID
- 11622783
- EC Number
- 974-964-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 305.7 · 305.7±42.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.10(Predicted)
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, P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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