Basic information
- CAS
1247075-58-6- Standard SMILES
Nc1ccnc(OCC(F)(F)F)c1- InChIKey
FIEMTHIQXMLNBX-UHFFFAOYSA-N- Molecular formula
- C7H7F3N2O
- Average molar mass
- 192.14 g/mol
- Monoisotopic mass
- 192.05104734
Names & identifiers
- Preferred name
- 2-(2,2,2-Trifluoroethoxy)pyridin-4-amine
- IUPAC
- 2-(2,2,2-trifluoroethoxy)pyridin-4-amine
- English name
- 2-(2,2,2-Trifluoroethoxy)pyridin-4-amine
- Molecular formula
- C7H7F3N2O
- Molecular weight
- 192.14
Names & synonyms
2-(2,2,2-trifluoroethoxy)pyridin-4-amine1247075-58-6RefChem:451592860-312-5SCHEMBL109903XZB07558AKOS010978897EN300-1263662-(2,2,2-trifluoro-ethoxy)-pyridin-4-ylamineA1-12262Z8518111164-Pyridinamine, 2-(2,2,2-trifluoroethoxy)-
Database identifiers
- CAS
1247075-58-6- PubChem CID
- 57516331
- EC Number
- 860-312-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 259.2 · 259.2±40.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 6.19 · 6.19±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H332-H312-H319-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-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, 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 statements
- H315-H335-H332-H312-H319-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
2 records
Compound notes
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