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Cas Database |
| Name |
Phenol,4-iodo-5-methyl-2-(1-methylethyl)- |
EINECS | N/A |
| CAS No. | 2364-44-5 | Density | 1.566 g/cm3 |
| PSA | 20.23000 | LogP | 3.42860 |
| Solubility | N/A | Melting Point |
69 °C |
| Formula | C10H13IO | Boiling Point | 302.7 °C at 760 mmHg |
| Molecular Weight | 276.117 | Flash Point | 136.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-Iodothymol;Iodotimol;Thymol,6-iodo- (6CI,7CI,8CI);4-Iodothymol;Thymolan; |
Article Data | 8 |
Phenol,4-iodo-5-methyl-2-(1-methylethyl)- Specification
The Phenol,4-iodo-5-methyl-2-(1-methylethyl)-, with the CAS registry number 2364-44-5, is also known as 4-Iodothymol. This chemical's molecular formula is C10H13IO and molecular weight is 276.1141. Its IUPAC name is called 4-iodo-5-methyl-2-propan-2-ylphenol.
Physical properties of Phenol,4-iodo-5-methyl-2-(1-methylethyl)-: (1)ACD/LogP: 4.71; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.596; (6)Molar Refractivity: 60.05 cm3; (7)Molar Volume: 176.2 cm3; (8)Surface Tension: 42.6 dyne/cm; (9)Density: 1.566 g/cm3; (10)Flash Point: 136.9 °C; (11)Enthalpy of Vaporization: 56.47 kJ/mol; (12)Boiling Point: 302.7 °C at 760 mmHg; (13)Vapour Pressure: 0.000543 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1I)C(C)C)O
(2)InChI: InChI=1S/C10H13IO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
(3)InChIKey: OUYBTFOUTJAWPZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | parenteral | 606mg/kg (606mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56, Pg. 174, 1960. | |
| mouse | LD50 | oral | 1750mg/kg (1750mg/kg) | Pharmazie. Vol. 30, Pg. 147, 1975. | |
| mouse | LDLo | subcutaneous | 1400mg/kg (1400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56, Pg |
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