2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
Basic information
- CAS
49750-74-5- Standard SMILES
COCCOc1ccc(C(F)(F)F)cc1N- InChIKey
VGEAZFFURBQABD-UHFFFAOYSA-N- Molecular formula
- C10H12F3NO2
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.08201311
Names & identifiers
- Preferred name
- 2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
- IUPAC
- 2-(2-methoxyethoxy)-5-(trifluoromethyl)aniline
- English name
- 2-(2-METHOXY-ETHOXY)-5-TRIFLUOROMETHYL-PHENYLAMINE
- Molecular formula
- C10H12F3NO2
- Molecular weight
- 235.2
Names & synonyms
2-(2-methoxyethoxy)-5-(trifluoromethyl)aniline49750-74-52-(2-Methoxy-ethoxy)-5-trifluoromethyl-phenylamineMFCD039668472-(2-methoxyethoxy)-5-(trifluoromethyl)phenylamine2-(2-Methoxyethoxy)-5-(trifluoromethyl)benzenamineMLS000718548CHEMBL1885472SCHEMBL10352014TIMTEC-BB SBB011710VGEAZFFURBQABD-UHFFFAOYSA-NDTXSID901326644
Show more names
Benzenamine, 2-(2-methoxyethoxy)-5-(trifluoromethyl)-
HMS2666F23AKOS BBS-00006844SBB011710AKOS000100277ASINEX-REAG BAS 14599515OTAVA-BB BB7119290192SB81161SMR000290816
Database identifiers
- CAS
49750-74-5- PubChem CID
- 2392234
- DTXSID
DTXSID901326644- ChEMBL
CHEMBL1885472- EC Number
- 113-431-5
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
Solubility31.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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