HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 297546Generated: October 23, 2026
2,3,5,6-Tetrafluorobenzonitrile
4H-Perfluorobenzonitrile · 2,3,5,6-TETRAFLUOROBENZONITRILE · Benzonitrile, 2,3,5,6-tetrafluoro- · 2,3,5,6-Tetrafluorobenzonitrile,98% · 2,3,5,6-tetrafluorobenzenemethylnitrile · 2,3,5,6-Tetrafluorobenzonitrile - [T71770]
https://huagongshe.com/en/chemical/297546
Identifiers & Physical Properties
| CAS No. | 5216-17-1 |
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| Molecular formula | C7HF4N |
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| Average molar mass | 175.08 g/mol |
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| Monoisotopic mass | 175.00451191 g/mol |
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| SMILES | N#Cc1c(F)c(F)cc(F)c1F |
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| InChIKey | IOQMWOBRUDNEOA-UHFFFAOYSA-N |
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| PubChem CID | 297546 |
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| EC No. | 620-903-9 |
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| DTXSID | DTXSID50304989 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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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 | 5 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 197 |
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| Melting point | 33-36 °C(lit.) |
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| Boiling point | 88-90 °C45 mm Hg(lit.) |
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| Density | 1.5029 (estimate) |
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| Flash point | 158 °F |
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| Storage conditions | 2-8°C |
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| Physical state | powder to lump |
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| Color | White to Light yellow to Light orange |
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| BRN | 2331017 |
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| CAS DataBase Reference | 5216-17-1(CAS DataBase Reference) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
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| GHS precautionary statements | P280 |
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| Hazard symbols | Xn,Xi |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Safety statements (S) | 26-36-36/37/39 |
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| UN transport number | UN 1325 4.1/PG 2 |
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| Water hazard class (WGK) | 3 |
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| Hazard Note | Irritant |
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| Hazard class | 6.1 |
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| Packing group | III |
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| Customs code | 29269090 |
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Safety & Regulations
| GHS classification | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
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| Water hazard class (WGK) | 3 |
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| UN transport number | UN 1325 4.1/PG 2 |
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| Customs code | 29269090 |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xn,Xi |
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| hazard_note | Irritant |
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| Safety statements (S) | 26-36-36/37/39 |
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| Hazard class | 6.1 |
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| Packing group | III |
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| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
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| GHS precautionary statements | P280 |
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