Basic information
- CAS
274674-23-6- Standard SMILES
FC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1- InChIKey
PGKMVPFJFKOUDA-INIZCTEOSA-N- Molecular formula
- C17H18FN
- Average molar mass
- 255.33 g/mol
- Monoisotopic mass
- 255.14232774
Names & identifiers
- Preferred name
- (S)-(-)-2-(Fluorodiphenylmethyl)pyrrolidine
- IUPAC
- (2S)-2-[fluoro(diphenyl)methyl]pyrrolidine
- English name
- (S)-(-)-2-(Fluorodiphenylmethyl)pyrroli&
- Molecular formula
- C17H18FN
- Molecular weight
- 255.33
Names & synonyms
(S)-(-)-2-(Fluorodiphenylmethyl)pyrrolidineRefChem:407678(2S)-2-(FLUORODIPHENYLMETHYL)PYRROLIDINE631-061-7274674-23-6(2S)-2-[Fluoro(diphenyl)methyl]pyrrolidine(S)-()-2-(Fluorodiphenylmethyl)pyrrolidine(S)-2-(Fluorodiphenylmethyl)pyrrolidineC17H18FNSCHEMBL5872321DTXSID20584251MFCD03093547
Show more names
)-2-(Fluorodiphenylmethyl)pyrrolidine(S)-(-)-2-(Fluorodiphenylmethyl)pyrroli&Pyrrolidine, 2-(fluorodiphenylmethyl)-, (2S)-(S)-(-)-2-(FLUORODIPHENYLMETHYL) PYRROLIDINE, 97% (98% EE/HPLC)
(s)-2-(fluorodiphenylmethyl) pyrrolidineDB-067790(S)-(-)-2-(Fluorodiphenylmethyl)pyrrolidine, optical purity ee: 98% (HPLC), 97%
Database identifiers
- CAS
274674-23-6- PubChem CID
- 16217116
- DTXSID
DTXSID20584251- EC Number
- 631-061-7
- Nikkaji
- J1.331.258C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 366.7 · 366.7±32.0 °C(Predicted)
- Density
- 1.096 g/mL · 1.096 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.576(lit.)
- Flash point
- 147 °F · 147 °F
- pka
- 9.38 · 9.38±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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