3-(2-Chloro-4-fluorophenoxy)pyrrolidine
Basic information
- CAS
946726-66-5- Standard SMILES
Fc1ccc(OC2CCNC2)c(Cl)c1- InChIKey
XHMHTNULNLTTSJ-UHFFFAOYSA-N- Molecular formula
- C10H11ClFNO
- Average molar mass
- 215.65 g/mol
- Monoisotopic mass
- 215.0513198
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-fluorophenoxy)pyrrolidine
- IUPAC
- 3-(2-chloro-4-fluorophenoxy)pyrrolidine
- English name
- 3-(2-Chloro-4-fluorophenoxy)pyrrolidine
- Molecular formula
- C10H11ClFNO
- Molecular weight
- 215.65
Names & synonyms
3-(2-CHLORO-4-FLUOROPHENOXY)PYRROLIDINE946726-66-5DTXSID00663053AKOS005264574CS-0268883G80541EN300-1982782F678757Pyrrolidine, 3-(2-chloro-4-fluorophenoxy)-3-(2-Chloro-4-fluorophenoxy)pyrrolidine HCl3-(2-chloro-4-fluorophenoxy)pyrrolidine hydrochloride
Database identifiers
- CAS
946726-66-5- PubChem CID
- 45075478
- DTXSID
DTXSID00663053
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 301.4 · 301.4±42.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.12 · 9.12±0.10(Predicted)
- 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
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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