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Cas Database |
| Name |
Phenol,4-(1,1-dimethylethyl)-2-iodo- |
EINECS | N/A |
| CAS No. | 38941-98-9 | Density | 1.563 g/cm3 |
| PSA | 20.23000 | LogP | 3.29430 |
| Solubility | N/A | Melting Point |
73-75 °C |
| Formula | C10H13IO | Boiling Point | 254.443 °C at 760 mmHg |
| Molecular Weight | 276.117 | Flash Point | 107.684 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Iodo-4-tert-butylphenol;4-(1,1-Dimethylethyl)-2-iodophenol;4-tert-Butyl-2-iodophenol; |
Article Data | 25 |
Phenol,4-(1,1-dimethylethyl)-2-iodo- Specification
The Phenol,4-(1,1-dimethylethyl)-2-iodo-, with the CAS registry number 38941-98-9, is also known as 4-(1,1-Dimethylethyl)-2-iodophenol. This chemical's molecular formula is C10H13IO and molecular weight is 276.11. What's more, its systematic name is 4-tert-Butyl-2-iodophenol.
Physical properties of Phenol,4-(1,1-dimethylethyl)-2-iodo- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.23 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 59.428 cm3; (9)Molar Volume: 176.624 cm3; (10)Polarizability: 23.559×10-24 cm3; (11)Surface Tension: 40.634 dyne/cm; (12)Density: 1.563 g/cm3; (13)Flash Point: 107.684 °C; (14)Enthalpy of Vaporization: 51.175 kJ/mol; (15)Boiling Point: 254.443 °C at 760 mmHg; (16)Vapour Pressure: 0.011 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(ccc1O)C(C)(C)C
(2)InChI: InChI=1/C10H13IO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
(3)InChIKey: DTNQNHHVSJPDSG-UHFFFAOYSA-N
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