HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 687329Generated: October 23, 2026
Thiophene, 2-(2-nitroethenyl)-
AKOS 90542 · NITROVINYLTHIOPHENE · TIMTEC-BB SBB000122 · 2-nitrovinyl thiophene · 2-(2-NITROVINYL)THIOPHENE · 2-(2-NITROETHENYL)THIOPHENE · (E)-2-(2-nitrovinyl)thiophene · TRANS-2-(2-NITROVINYL)THIOPHENE
https://huagongshe.com/en/chemical/687329
Identifiers & Physical Properties
| CAS No. | 34312-77-1 |
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| Molecular formula | C6H5NO2S |
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| Average molar mass | 155.18 g/mol |
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| Monoisotopic mass | 155.0040994 g/mol |
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| SMILES | O=[N+]([O-])/C=C/c1cccs1 |
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| InChIKey | UTPOWFFIBWOQRK-ONEGZZNKSA-N |
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| PubChem CID | 687329 |
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| EC No. | 212-867-4 |
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| DTXSID | DTXSID50878872 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 74.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 152 |
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| LogP (partition coefficient) | 1.96 |
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| Melting point | 79-81 °C(lit.) |
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| Boiling point | 269.7±15.0 °C(Predicted) |
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| Density | 1.335±0.06 g/cm3(Predicted) |
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| CAS DataBase Reference | 34312-77-1(CAS DataBase Reference) |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H301-H315-H319-H335 |
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| GHS precautionary statements | P261-P301+P310-P305+P351+P338 |
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| Hazard symbols | Xn |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Safety statements (S) | 26-36/37/39-45-36-24/25 |
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| UN transport number | 2811 |
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| Hazard class | 6.1(b) |
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| Packing group | III |
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| Customs code | 29339900 |
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Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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. 4 (100%) |
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| UN transport number | 2811 |
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| Customs code | 29339900 |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Signal word | Danger |
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| GHS pictogram | GHS06 |
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| Hazard symbols | Xn |
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| Safety statements (S) | 26-36/37/39-45-36-24/25 |
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| Hazard class | 6.1(b) |
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| Packing group | III |
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| GHS hazard statements | H301-H315-H319-H335 |
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| GHS precautionary statements | P261-P301+P310-P305+P351+P338 |
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