4,5-Dimethoxy-2-(trifluoromethyl)aniline
Basic information
- CAS
500698-46-4- Standard SMILES
COc1cc(N)c(C(F)(F)F)cc1OC- InChIKey
RVFJSOZGQWYDAF-UHFFFAOYSA-N- Molecular formula
- C9H10F3NO2
- Average molar mass
- 221.18 g/mol
- Monoisotopic mass
- 221.06636305
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-(trifluoromethyl)aniline
- IUPAC
- 4,5-dimethoxy-2-(trifluoromethyl)aniline
Names & synonyms
4,5-Dimethoxy-2-(trifluoromethyl)aniline500698-46-4RefChem:507791996-099-1NSC155198AVA698462-Amino-4,5-dimethoxybenzotrifluorideNSC-1551984,5-Dimethoxy-2-(trifluoromethyl)aniline #CS-0263944EN300-91013
Database identifiers
- CAS
500698-46-4- PubChem CID
- 290796
- EC Number
- 996-099-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
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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