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CAS No.: | 24303-61-5 |
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Name: | 2,2,3,3-tetramethyl cyclopropane carboxynyl chloride |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C8H13ClO |
Molecular Weight: | 160.644 |
Synonyms: | 2,2,3,3-Tetramethylcyclopropanecarbonylchloride;Cyclopropanecarbonylchloride, 2,2,3,3-tetramethyl-; |
Density: | 1.028 g/cm3 |
Boiling Point: | 152.823 °C at 760 mmHg |
Flash Point: | 66.111 °C |
PSA: | 17.07000 |
LogP: | 2.43400 |
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2,2,3,3-Tetramethylcyclopropanecarbonyl chloride is an organic compound with the formula C8H13ClO, and its systematic name is the same with the product name. With the CAS registry number 24303-61-5, it is also named as Cyclopropanecarbonylchloride, 2,2,3,3-tetramethyl-. In addition, the molecular weight is 160.64.
Physical properties of 2,2,3,3-Tetramethylcyclopropanecarbonyl chloride are: (1)ACD/LogP: 2.469; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.28; (6)ACD/BCF (pH 7.4): 44.28; (7)ACD/KOC (pH 5.5): 524.73; (8)ACD/KOC (pH 7.4): 524.73; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 41.9 cm3; (15)Molar Volume: 156.196 cm3; (16)Polarizability: 16.61×10-24cm3; (17)Surface Tension: 26.81 dyne/cm; (18)Density: 1.028 g/cm3; (19)Flash Point: 66.111 °C; (20)Enthalpy of Vaporization: 38.963 kJ/mol; (21)Boiling Point: 152.823 °C at 760 mmHg; (22)Vapour Pressure: 3.43 mmHg at 25°C.
Uses of 2,2,3,3-Tetramethylcyclopropanecarbonyl chloride: it can be used to produce 2,2,3,3-tetramethyl-cyclopropanecarboxylic acid amide at the temperature of 20 °C. It will need reagent aq. NH3 and solvent tetrahydrofuran with the reaction time of 24 hours. The yield is about 50%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)C1C(C)(C)C1(C)C
(2)Std. InChI: InChI=1S/C8H13ClO/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3
(3)Std. InChIKey: PAPVPNRFJQMQLS-UHFFFAOYSA-N