HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 17856495Generated: October 30, 2026
N-t-BOC-trans-4-Fluoro-L-Prolinonitrile
Prusogliptin Impurity 21 · Boc-trans-4-fluoro-L-prolinonitrile · N-Boc-trans-4-fluoro-L-prolinonitrile · N-T-BOC-TRANS-4-FLUORO-L-PROLINONITRILE · (2S,4R)-N-Boc-4-fluoropyrrolidine-2-carbonitrile · (2S,4R)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate · tert-butyl (2S,4R)-2-cyano-4-fluoropyrrolidine-1-carboxylate · (2S,4R)-2-cyano-4-fluoropyrrolidine-1- tert-butyl carboxylate
https://huagongshe.com/en/chemical/17856495
Identifiers & Physical Properties
| CAS No. | 1330286-47-9 |
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| Molecular formula | C10H15FN2O2 |
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| Average molar mass | 214.24 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CC(F)CC1C#N |
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| InChIKey | QAKRZINKSNCLEV-UHFFFAOYSA-N |
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| PubChem CID | 17856495 |
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| EC No. | 813-734-9 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 53.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 302 |
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| Boiling point | 316.7±42.0 °C(Predicted) |
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| Density | 1.15±0.1 g/cm3(Predicted) |
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| Storage conditions | Storage temp. 2-8°C |
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| pKa (acidity coefficient) | -7.30±0.60(Predicted) |
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| Appearance | White to off-white Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H317 |
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| GHS precautionary statements | P261-P280-P301+P312 |
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| Risk statements (R) | 43 |
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| Safety statements (S) | 36/37 |
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| Customs code | 2933998090 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Customs code | 2933998090 |
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| Risk statements (R) | 43 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Safety statements (S) | 36/37 |
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| GHS hazard statements | H302-H317 |
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| GHS precautionary statements | P261-P280-P301+P312 |
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