HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777091Generated: October 30, 2026
3-(2,3,4-Trifluorophenyl)-2-propenoic acid
2,3,4-Trifluorocinna · 2,3,4-Trifluorocinnamic acid · 2,3,4-Trifluorocinnamicacid98% · 2 3 4-TRIFLUOROCINNAMIC ACID 99 · 3-(2,3,4-Trifluorophenyl)acrylic acid · 2,3,4-Trifluorocinnamic acid USP/EP/BP · 3-(2,3,4-Trifluorophenyl)-2-propenoic acid · 2-Propenoic acid, 3-(2,3,4-trifluorophenyl)-
https://huagongshe.com/en/chemical/2777091
Identifiers & Physical Properties
| CAS No. | 207742-85-6 |
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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=Cc1ccc(F)c(F)c1F |
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| InChIKey | AYDLBRHSHLRVAH-UHFFFAOYSA-N |
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| PubChem CID | 2777091 |
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| EC No. | 671-771-4 |
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| DTXSID | DTXSID101265478 |
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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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| Melting point | 175-178 °C(lit.) |
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| Boiling point | 273.8±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) | 4.13±0.15(Predicted) |
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| Appearance | Light yellow to light brown Solid |
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| InChI | InChI=1S/C9H5F3O2/c10-6-3-1-5(2-4-7(13)14)8(11)9(6)12/h1-4H,(H,13,14) |
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| InChIKey | AYDLBRHSHLRVAH-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C=CC1=CC=C(F)C(F)=C1F |
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| CAS DataBase Reference | 207742-85-6(CAS DataBase Reference) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H335-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-37/39 |
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| Water hazard class (WGK) | 3 |
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| Hazard class | IRRITANT |
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| Customs code | 2916399090 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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 | Skin Irrit. 2 (100%) |
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| Water hazard class (WGK) | 3 |
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| 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 | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26-37/39 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H315-H335-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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