HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2736734Generated: October 27, 2026
1-Cyano-4-fluoronaphthalene
4-Fluoro-1-naphthonitrile · BUTTPARK 11\09-58 · 1-CYANO-4-FLUORONAPHTHALENE · 4-Fluoro-1-naphthonitrile 97% · 4-fluoro-1-naphthalenecarbonitrile · 1-Naphthalenecarbonitrile, 4-fluoro- · 4-Fluoronaphthalene-1-carbonitrile, 97% · 4-Fluoronaphthalene-1-carbonitrile, 1-Cyano-4-fluoronaphthalene
https://huagongshe.com/en/chemical/2736734
Identifiers & Physical Properties
| CAS No. | 13916-99-9 |
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| Molecular formula | C11H6FN |
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| Average molar mass | 171.17 g/mol |
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| Monoisotopic mass | 171.04842741 g/mol |
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| SMILES | N#Cc1ccc(F)c2ccccc12 |
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| InChIKey | XQSGYYNFKIQWAC-UHFFFAOYSA-N |
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| PubChem CID | 2736734 |
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| EC No. | 670-852-1 |
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| DTXSID | DTXSID60371561 |
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Chemical & Physical Properties
| XLogP | 3 |
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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 | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 229 |
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| Melting point | 89-91°C |
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| Boiling point | 314.9±15.0 °C(Predicted) |
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| Density | 1.22±0.1 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Physical state | powder |
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| Color | Mauve to grey |
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| CAS DataBase Reference | 13916-99-9(CAS DataBase Reference) |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
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| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
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| Hazard symbols | T |
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| Risk statements (R) | 20/21/22 |
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| Safety statements (S) | 26-36/37/39 |
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| UN transport number | 3439 |
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| Hazard Note | Toxic |
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| Hazard class | 6.1 |
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| Packing group | III |
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| Customs code | 2926907090 |
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| Limited quantities | 5.0 kg (11 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
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Safety & Regulations
| GHS classification | DangerH301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 reports by companies from 2 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. 3 (20%) |
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| UN transport number | 3439 |
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| Customs code | 2926907090 |
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| Risk statements (R) | 20/21/22 |
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| Signal word | Danger |
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| GHS pictogram | GHS06 |
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| Hazard symbols | T |
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| hazard_note | Toxic |
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| Safety statements (S) | 26-36/37/39 |
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| Hazard class | 6.1 |
|---|
| Packing group | III |
|---|
| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
|---|
| Limited quantities | 5.0 kg (11 lbs) (solid) |
|---|
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
|---|
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
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