HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777096Generated: October 31, 2026
CID 2777096
RARECHEM BK HW 0064 · 2,3,6-Trifluorocinnamic acid · 2,3,6-Trifluorocinnamicacid98% · 3-(2,3,6-Trifluorophenyl)acrylic acid · (E)-3-(2,3,6-trifluorophenyl)acrylic acid · 3-(2,3,6-Trifluorophenyl)-2-propenoic acid · 2-Propenoic acid, 3-(2,3,6-trifluorophenyl)- · (E)-3-(2,3,6-trifluorophenyl)-2-propenoic acid
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Identifiers & Physical Properties
| CAS No. | 230295-12-2 |
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| Molecular formula | C9H5F3O2 |
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| Average molar mass | 202.13 g/mol |
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| Monoisotopic mass | 202.02416388 g/mol |
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| SMILES | O=C(O)C=Cc1c(F)ccc(F)c1F |
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| InChIKey | OLYDUMMUGMYVHJ-UHFFFAOYSA-N |
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| PubChem CID | 2777096 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 37.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 242 |
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| Boiling point | 271.0±35.0 °C(Predicted) |
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| Density | 1.468±0.06 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| pKa (acidity coefficient) | 4.02±0.18(Predicted) |
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| GHS pictogram | GHS03,GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H272-H315-H319 |
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| GHS precautionary statements | P221-P264b-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P370+P378r-P403-P501c |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-36 |
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| Hazard class | IRRITANT |
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| Customs code | 2916399090 |
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Safety & Regulations
| Customs code | 2916399090 |
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| Risk statements (R) | 36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS03,GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26-36 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H272-H315-H319 |
|---|
| GHS precautionary statements | P221-P264b-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P370+P378r-P403-P501c |
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