HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 691237Generated: November 1, 2026
4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
AKOS BBS-00000211 · 2-AMINO-4-T-BUTYL-6-(TRIFLUOROMETHYL)PYRIMIDINE · 2-Amino-6-t-butyl-4-(trifluoromethyl)pyrimidine · 4-(T-BUTYL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE · 4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinamine · 2-AMINO-4-TERT-BUTYL-6-(TRIFLUOROMETHYL)PYRIMIDINE · 4-TERT-BUTYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YLAMINE · 4-(TERT-BUTYL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE
https://huagongshe.com/en/chemical/691237
Identifiers & Physical Properties
| CAS No. | 238742-83-1 |
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| Molecular formula | C9H12F3N3 |
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| Average molar mass | 219.21 g/mol |
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| Monoisotopic mass | 219.09833188 g/mol |
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| SMILES | CC(C)(C)c1cc(C(F)(F)F)nc(N)n1 |
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| InChIKey | XIUFUZWOHSSRKX-UHFFFAOYSA-N |
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| PubChem CID | 691237 |
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| EC No. | 671-612-9 |
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| DTXSID | DTXSID30351118 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 51.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 222 |
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| Melting point | 48 °C |
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| Boiling point | 48-50°C |
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| Density | 1.229±0.06 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| pKa (acidity coefficient) | 2.50±0.10(Predicted) |
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| CAS DataBase Reference | 238742-83-1(CAS DataBase Reference) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H335-H315-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) | 26-36/37/39 |
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| Hazard class | IRRITANT |
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| Customs code | 29335990 |
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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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Customs code | 29335990 |
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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) | 26-36/37/39 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H335-H315-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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