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| CAS No.: | 113402-77-0 |
|---|---|
| Name: | 3-CHLORO-2-IODO-1,1,1-TRIFLUOROPROPANE |
| Molecular Structure: | |
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| Formula: | C3H3ClF3I |
| Molecular Weight: | 258.41 |
| Synonyms: | 1-Chloro-3,3,3-trifluoro-2-iodopropane; |
| Density: | 2.066 g/cm3 |
| Boiling Point: | 125.8 °C at 760 mmHg |
| Flash Point: | 29.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 2.59110 |
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Specification
The CAS registry number of Propane,3-chloro-1,1,1-trifluoro-2-iodo- is 113402-77-0. This chemical is also named as 3-Chloro-2-iodo-1,1,1-trifluoropropane 97%. In addition, its molecular formula is C3H3ClF3I and molecular weight is 258.41. Its systematic name and IUPAC name are the same which is called 3-chloro-1,1,1-trifluoro-2-iodopropane.
Physical properties about Propane,3-chloro-1,1,1-trifluoro-2-iodo- are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.35; (6)ACD/BCF (pH 7.4): 78.35; (7)ACD/KOC (pH 5.5): 789.51; (8)ACD/KOC (pH 7.4): 789.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 34.18 cm3; (14)Molar Volume: 125 cm3; (15)Surface Tension: 26.9 dyne/cm; (16)Density: 2.066 g/cm3; (17)Flash Point: 29.9 °C; (18)Enthalpy of Vaporization: 34.86 kJ/mol; (19)Boiling Point: 125.8 °C at 760 mmHg; (20)Vapour Pressure: 14.5 mmHg at 25°C.
Uses of Propane,3-chloro-1,1,1-trifluoro-2-iodo-: it can be used to produce 3,3,3-Trifluoro-2-iodopropene at temperature of -10 °C. It will need reagent KOH and solvent ethanol. The yield is about 50 %.
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. 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)SMILES: FC(F)(F)C(I)CCl
(2)InChI: InChI=1/C3H3ClF3I/c4-1-2(8)3(5,6)7/h2H,1H2
(3)InChIKey: VTXHEMNTBOVTHP-UHFFFAOYAE