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| CAS No.: | 98946-18-0 |
|---|---|
| Name: | tert-Butyl 2,2,2-trichloroacetimidate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H10Cl3NO |
| Molecular Weight: | 218.511 |
| Synonyms: | tert-Butyl 2,2,2-trichloroacetimidate；TBTA;Acetimidicacid, 2,2,2-trichloro-, tert-butyl ester (6CI);2,2,2-Trichloroethanimidic acidtert-butyl ester;O-tert-Butyl trichloroacetimidate;tert-Butyl2,2,2-trichloroacetimidate;tert-Butyl trichloroacetimidate; |
| EINECS: | -0 |
| Density: | 1.222 g/cm3 |
| Melting Point: | 21 °C(lit.) |
| Boiling Point: | 183.3 °C at 760 mmHg |
| Flash Point: | 55 °C |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 10-22-36/37/38 |
| Safety: | 26-37/39-16-36/37 |
| Transport Information: | UN 1993 |
| PSA: | 33.08000 |
| LogP: | 3.24870 |
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Specification
The tert-Butyl 2,2,2-trichloroacetimidate, with the CAS registry number 98946-18-0, is also known as 9-(Fluorenylmethylcarbonyl) amide. It belongs to the product categories of Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry. This chemical's molecular formula is C6H10Cl3NO and molecular weight is 218.51. Its IUPAC name is called tert-butyl 2,2,2-trichloroethanimidate. The product should be sealed and stored in cool, dry place. What's more, it should be protected from strong oxides. This chemical is clear colorless to pale yellow liquid.
Physical properties of tert-Butyl 2,2,2-trichloroacetimidate: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.46; (5)ACD/BCF (pH 7.4): 83.54; (6)ACD/KOC (pH 5.5): 825.79; (7)ACD/KOC (pH 7.4): 826.58; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 47.8 cm3; (13)Molar Volume: 168.3 cm3; (14)Surface Tension: 33.8 dyne/cm; (15)Density: 1.29 g/cm3; (16)Flash Point: 55 °C; (17)Enthalpy of Vaporization: 40.24 kJ/mol; (18)Boiling Point: 183.3 °C at 760 mmHg; (19)Vapour Pressure: 1.06 mmHg at 25°C.
Uses of tert-Butyl 2,2,2-trichloroacetimidate: it can be used to produce di-tert-butyl peroxide at temperature of -5°C. This reaction will need reagent BF3*Et2O and solvent pentane with reaction time of 15 min. The yield is about 63%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=N)C(Cl)(Cl)Cl
(2)InChI: InChI=1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3
(3)InChIKey: CQXDYHPBXDZWBA-UHFFFAOYSA-N