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| CAS No.: | 768-93-4 |
|---|---|
| Name: | 1-IODOADAMANTANE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H15I |
| Molecular Weight: | 262.134 |
| Synonyms: | Adamantane,1-iodo- (6CI,7CI,8CI);1-Adamantyl iodide;1-Iodoadamantane;Adamantyl iodide;NSC 169440; |
| Density: | 1.63 g/cm3 |
| Melting Point: | 75-76 °C(lit.) |
| Boiling Point: | 265.7 °C at 760 mmHg |
| Flash Point: | 115.9 °C |
| Appearance: | solid |
| PSA: | 0.00000 |
| LogP: | 3.39020 |
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- Total:34 Page 1 of 1 1
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Specification
The Tricyclo[3.3.1.13,7]decane,1-iodo- is an organic compound with the formula C10H15I. The systematic name of this chemical is 1-iodotricyclo[3.3.1.1~3,7~]decane. With the CAS registry number 768-93-4, it is also named as 1-Adamantyl iodide. The product's categories are Adamantane Derivatives; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it should be stored in a dark cool and well-ventilated place.
Physical properties about Tricyclo[3.3.1.13,7]decane,1-iodo- are: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 4.38; (3)ACD/LogD (pH 7.4): 4.38; (4)ACD/BCF (pH 5.5): 1254.8; (5)ACD/BCF (pH 7.4): 1254.8; (6)ACD/KOC (pH 5.5): 5748.55; (7)ACD/KOC (pH 7.4): 5748.55; (8)Index of Refraction: 1.605; (9)Molar Refractivity: 55.08 cm3; (10)Molar Volume: 159.8 cm3; (11)Polarizability: 21.83×10-24cm3; (12)Surface Tension: 42.3 dyne/cm; (13)Density: 1.63 g/cm3; (14)Flash Point: 115.9 °C; (15)Enthalpy of Vaporization: 48.33 kJ/mol; (16)Boiling Point: 265.7 °C at 760 mmHg; (17)Vapour Pressure: 0.0148 mmHg at 25°C.
Uses of Tricyclo[3.3.1.13,7]decane,1-iodo-: it can be used to produce N-(1-adamantylpropyl)-O-benzylhydroxylamine at temperature of 25 °C. This reaction is a kind of Addition. It will need reagent Bu3SnH, Et3B, BF3*OEt2, and solvent CH2Cl2, hexane with reaction time of 10 min. The yield is about 41%.
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You can still convert the following datas into molecular structure:
(1)SMILES: IC13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C10H15I/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(3)InChIKey: PXVOATXCSSPUEM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H15I/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(5)Std. InChIKey: PXVOATXCSSPUEM-UHFFFAOYSA-N