HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 85331Generated: October 26, 2026
2,3,3-Trichloro-2-propenenitrile
TL-391 · Trichloroacrylonitrile · 2,3,3-Trichloroacrylonitrile · 2,3,3-trichloro-2-propenenitrile · 2-Propenenitrile, 2,3,3-trichloro-
https://huagongshe.com/en/chemical/85331
Identifiers & Physical Properties
| CAS No. | 16212-28-5 |
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| Molecular formula | C3Cl3N |
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| Average molar mass | 156.39 g/mol |
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| Monoisotopic mass | 154.90963204 g/mol |
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| SMILES | N#CC(Cl)=C(Cl)Cl |
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| InChIKey | RIMSDWNIRWMXBC-UHFFFAOYSA-N |
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| PubChem CID | 85331 |
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| DTXSID | DTXSID9021681 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 23.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 7 |
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| Formal charge | 0 |
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| Complexity | 136 |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Melting point | 18-20 °C |
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| Boiling point | 151-153 °C(Press: 750 Torr) |
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| Density | 1.6561 (estimate) |
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| FDA UNII | C6XDJ3B45Y |
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| EPA Substance Registry System | 2-Propenenitrile, 2,3,3-trichloro- (16212-28-5) |
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| Toxicity | LCLo ihl-mus: 2000 mg/m3/10M NDRC** NDCrc-132,OCT42 |
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Safety & Regulations
| Toxicity | LCLo ihl-mus: 2000 mg/m3/10M NDRC** NDCrc-132,OCT42 |
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