3-(3-Fluorophenoxy)pyrrolidine
Basic information
- CAS
871587-68-7- Standard SMILES
Fc1cccc(OC2CCNC2)c1- InChIKey
AKHGRTYTFZRUHJ-UHFFFAOYSA-N- Molecular formula
- C10H12FNO
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.09029217
Names & identifiers
- Preferred name
- 3-(3-Fluorophenoxy)pyrrolidine
- IUPAC
- 3-(3-fluorophenoxy)pyrrolidine
- English name
- 3-(3-Fluorophenoxy)pyrrolidine
- Molecular formula
- C10H12FNO
- Molecular weight
- 181.21
Names & synonyms
3-(3-fluorophenoxy)pyrrolidine871587-68-7DTXSID00663058RefChem:92311DTXCID10613807832-920-03-(3-FLUORO-PHENOXY)-PYRROLIDINEMFCD08687904SCHEMBL232364AKHGRTYTFZRUHJ-UHFFFAOYSA-NAKOS005263827SB39229
Show more names
Pyrrolidine, 3-(3-fluorophenoxy)-
NCGC00455963-01DA-01865CS-0341036EN300-151503G42645
Database identifiers
- CAS
871587-68-7- PubChem CID
- 45075501
- DTXSID
DTXSID00663058- EC Number
- 832-920-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 250.7 · 250.7±30.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- pka
- 9.25 · 9.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Related reactions
1 records
Compound notes
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