HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178635526Generated: November 1, 2026
2-Ethynyl-1-methyl-4-nitrobenzene
2-Methyl-5-nitrophenylacetylene · 2-Ethynyl-1-methyl-4-nitrobenzene · Benzene, 2-ethynyl-1-methyl-4-nitro-
https://huagongshe.com/en/chemical/178635526
Identifiers & Physical Properties
| CAS No. | 1233521-02-2 |
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| Molecular formula | C9H7NO2 |
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| Average molar mass | 161.16 g/mol |
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| Monoisotopic mass | 161.04767847 g/mol |
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| SMILES | C#Cc1cc([N+](=O)[O-])ccc1C |
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| InChIKey | SRKFXZQFDIEEDY-UHFFFAOYSA-N |
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| PubChem CID | 50998819 |
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Chemical & Physical Properties
| XLogP | 2.8 |
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| Topological polar surface area | 45.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 222 |
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| Boiling point | 272.1±33.0 °C(Predicted) |
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| Density | 1.18±0.1 g/cm3(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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