2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
Basic information
- CAS
848414-03-9- Standard SMILES
OCC(F)(F)C1CCNC1- InChIKey
WPUZOENUSBZVKC-UHFFFAOYSA-N- Molecular formula
- C6H11F2NO
- Average molar mass
- 151.15 g/mol
- Monoisotopic mass
- 151.0808703
Names & identifiers
- Preferred name
- 2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
- IUPAC
- 2,2-difluoro-2-pyrrolidin-3-ylethanol
- English name
- b,b-difluoro-3-Pyrrolidineethanol
- Molecular formula
- C6H11F2NO
- Molecular weight
- 151.15
Names & synonyms
848414-03-92,2-difluoro-2-(pyrrolidin-3-yl)ethan-1-olRefChem:441047865-904-72,2-Difluoro-2-pyrrolidin-3-yl-ethanolb,b-difluoro-3-Pyrrolidineethanol2,2-difluoro-2-pyrrolidin-3-ylethanolSCHEMBL5769587YIB41403EN300-6973610
Database identifiers
- CAS
848414-03-9- PubChem CID
- 60006963
- EC Number
- 865-904-7
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 231.603 · 231.603±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.79 · 13.790±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H302-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-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
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-H335-H302-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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