Basic information
- CAS
72617-82-4- Standard SMILES
Nc1ccc(OCC(F)(F)F)nc1- InChIKey
OJCXGRPKFISGAZ-UHFFFAOYSA-N- Molecular formula
- C7H7F3N2O
- Average molar mass
- 192.14 g/mol
- Monoisotopic mass
- 192.0510475
Names & identifiers
- Preferred name
- 6-(2,2,2-Trifluoroethoxy)pyridin-3-amine
- IUPAC
- 6-(2,2,2-trifluoroethoxy)pyridin-3-amine
- English name
- 6-(2,2,2-trifluoroethoxy)pyridin-3-amine
- Molecular formula
- C7H7F3N2O
- Molecular weight
- 192.14
Names & synonyms
6-(2,2,2-trifluoroethoxy)pyridin-3-amine72617-82-46-(2,2,2-Trifluoroethoxy)-3-pyridinamineMFCD041113796-(2,2,2-Trifluoro-ethoxy)-pyridin-3-ylamine3-Pyridinamine, 6-(2,2,2-trifluoroethoxy)-Maybridge3_005003SCHEMBL10092DTXSID10337511HMS1445D096-(2,2,2-trifluoroethoxy)-3-pyridylamineSCHEMBL29516441
Show more names
6-(2,2,2-Trifluoroethoxy)
SBB026576STK353500AKOS000150658AB17532CS-W003148IDI1_016390AC-29335BS-13802
Database identifiers
- CAS
72617-82-4- PubChem CID
- 543156
- DTXSID
DTXSID10337511- EC Number
- 118-324-7
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
- 247.9 · 247.9±40.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.7 · 3.70±0.22(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers49 total
上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Related reactions
8 records
Compound notes
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