2-(Thiophen-3-yl)pyrrolidine
Basic information
- CAS
298690-85-4- Standard SMILES
c1cc(C2CCCN2)cs1- InChIKey
XXZBVULUYZUNDS-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
- Monoisotopic mass
- 153.06122053
Names & identifiers
- Preferred name
- 2-(Thiophen-3-yl)pyrrolidine
- IUPAC
- 2-thiophen-3-ylpyrrolidine
- English name
- 2-Thiophen-3-ylpyrrolidine
- Molecular formula
- C8H11NS
- Molecular weight
- 153.24
Names & synonyms
2-(thiophen-3-yl)pyrrolidineRefChem:462423869-352-8298690-85-42-thiophen-3-ylpyrrolidine2-Thiophen-3-yl-pyrrolidineMFCD051893112-(3-Thienyl)pyrrolidinePyrrolidine,2-(3-thienyl)-(S)-2-(thiophen-3-yl)pyrrolidineSCHEMBL6176949SCHEMBL6392871
Show more names
2-thien-3-ylpyrrolidinePyrrolidine, 2-(3-thienyl)-2-THIOPHEN-3-YL-PYRROLIDINE, 98+%
(RS)-2-thien-3-yl-pyrrolidineDTXSID30398407XXZBVULUYZUNDS-UHFFFAOYSA-NAKOS000157788AKOS022174710AC-24299SY174439DB-021539
Database identifiers
- CAS
298690-85-4- PubChem CID
- 3988672
- DTXSID
DTXSID30398407- EC Number
- 869-352-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 245 · 245.0±28.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.32 · 10.32±0.10(Predicted)
- CAS DataBase Reference
- 298690 · 298690-85-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H312-H302-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-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
- H315-H318-H335-H312-H302-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310
Related reactions
6 records
Compound notes
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