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| CAS No.: | 83467-29-2 |
|---|---|
| Name: | 3,5-DIMETHYL-4-(2-IODOETHYL)-1H-PYRAZOLE |
| Molecular Structure: | |
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| Formula: | C7H11IN2 |
| Molecular Weight: | 250.082 |
| Synonyms: | 3,5-DIMETHYL-4-(2-IODOETHYL)-1H-PYRAZOLE;3,5-DIMETHYL-4-(2-IODOOETHYL)-1H-PYRAZOLE;AKOS PAO-0751 |
| Density: | 1.722 g/cm3 |
| Boiling Point: | 337.2 °C at 760 mmHg |
| Flash Point: | 157.7 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 28.68000 |
| LogP: | 2.00400 |
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- Total:9 Page 1 of 1 1
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Specification
The 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-, with the CAS registry number 83467-29-2, is also known as 3,5-Dimethyl-4-(2-iodoethyl)-1H-pyrazole. This chemical's molecular formula is C7H11IN2 and molecular weight is 250.08. What's more, its systematic name is called 4-(2-Iodoethyl)-3,5-dimethyl-1H-pyrazole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl- are: (1) ACD/LogP: 2.63; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.59; (4) ACD/LogD (pH 7.4): 2.62; (5) ACD/BCF (pH 5.5): 54.08; (6) ACD/BCF (pH 7.4): 58.16; (7) ACD/KOC (pH 5.5): 593; (8) ACD/KOC (pH 7.4): 637.7; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 17.82 Å2; (13) Index of Refraction: 1.619; (14) Molar Refractivity: 50.94 cm3; (15) Molar Volume: 145.1 cm3; (16) Surface Tension: 50.4 dyne/cm; (17) Density: 1.722 g/cm3; (18) Flash Point: 157.7 °C; (19) Enthalpy of Vaporization: 55.74 kJ/mol; (20) Boiling Point: 337.2 °C at 760 mmHg; (21) Vapour Pressure: 0.000209 mmHg at 25 °C.
Preparation of 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-: this chemical can be prepared by 1,1'-Cyclopropane-1,1-diyl-bis-ethanone.
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This reaction needs reagent NH2NH2, HI and solvent H2O at ambient temperature. The yield is 99 %.
Uses of 1H-Pyrazole,4-(2-iodoethyl)-3,5-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-isoindole-1,3-dione.
The reaction occurs with reagent Dimethylformamideand at temperature of 20 °C for 30 minutes. The yield is 80 %.
You can still convert the following datas into molecular structure:
(1) SMILES: ICCc1c(nnc1C)C
(2) InChI: InChI=1/C7H11IN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)
(3) InChIKey: HZTPPWBWEQKLTG-UHFFFAOYAP