HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22831749Generated: November 1, 2026
4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester
Ethyl-2-trifluoromethyl-4-cyclopropyl-5-pyrimidine carboxylate · Ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate · 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(trifluoromethyl)-, ethyl ester
https://huagongshe.com/en/chemical/22831749
Identifiers & Physical Properties
| CAS No. | 887409-11-2 |
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| Molecular formula | C11H11F3N2O2 |
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| Average molar mass | 260.21 g/mol |
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| Monoisotopic mass | 260.07726208 g/mol |
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| SMILES | CCOC(=O)c1cnc(C(F)(F)F)nc1C1CC1 |
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| InChIKey | LMPVTQRVSPFCJM-UHFFFAOYSA-N |
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| PubChem CID | 22831749 |
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| EC No. | 807-483-4 |
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Chemical & Physical Properties
| XLogP | 1.9 |
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| Topological polar surface area | 52.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 318 |
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| Physical state | solid |
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| InChI | 1S/C11H11F3N2O2/c1-2-18-9(17)7-5-15-10(11(12,13)14)16-8(7)6-3-4-6/h5-6H,2-4H2,1H3 |
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| InChIKey | LMPVTQRVSPFCJM-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)C1=NC(C2CC2)=C(C(OCC)=O)C=N1 |
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| UNSPSC Code | 12352108 |
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| NACRES | NA.21 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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| Hazard symbols | Xn |
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| Risk statements (R) | 22 |
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| Water hazard class (WGK) | WGK 3 |
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| Customs code | 2933599590 |
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| Storage class | 11 - Combustible Solids |
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| Hazard class | Acute Tox. 4 Oral |
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Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Water hazard class (WGK) | WGK 3 |
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| Customs code | 2933599590 |
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| Risk statements (R) | 22 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xn |
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| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H302 |
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| Hazard class | Acute Tox. 4 Oral |
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| GHS precautionary statements | P280-P305+P351+P338 |
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