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| CAS No.: | 5122-20-3 |
|---|---|
| Name: | 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H17I |
| Molecular Weight: | 288.171 |
| Synonyms: | m-Xylene,5-tert-butyl-2-iodo- (7CI,8CI);4-tert-Butyl-2,6-dimethyl-1-iodobenzene; |
| EINECS: | 200-158-5 |
| Density: | 1.367 g/cm3 |
| Melting Point: | 54-57 °C |
| Boiling Point: | 272.7 °C at 760 mmHg |
| Flash Point: | 121.2 °C |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 4.20550 |
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- Total:38 Page 1 of 1 1
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Specification
The CAS registry number of Benzene,5-(1,1-dimethylethyl)-2-iodo-1,3-dimethyl- is 5122-20-3. The IUPAC name is 5-tert-butyl-2-iodo-1,3-dimethylbenzene. In addition, the molecular formula is C12H17I and the molecular weight is 288.17. What's more, it should be stored in sealed container, and put them in a cool and dry place. Besides, it can be used in the synthesis of intermediates.
Physical properties about Benzene,5-(1,1-dimethylethyl)-2-iodo-1,3-dimethyl- are: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.86; (4)ACD/LogD (pH 7.4): 5.86; (5)ACD/BCF (pH 5.5): 16689.49; (6)ACD/BCF (pH 7.4): 16689.49; (7)ACD/KOC (pH 5.5): 36644.77; (8)ACD/KOC (pH 7.4): 36644.77; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 67.19 cm3; (12)Molar Volume: 210.7 cm3; (13)Polarizability: 26.63 ×10-24cm3; (14)Surface Tension: 33.2 dyne/cm; (15)Density: 1.367 g/cm3; (16)Flash Point: 121.2 °C; (17)Enthalpy of Vaporization: 49.04 kJ/mol; (18)Boiling Point: 272.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00998 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes. If without government permission, you can not put this material into surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(cc(cc1C)C(C)(C)C)C
(2)InChI: InChI=1/C12H17I/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3
(3)InChIKey: SCKWYPTZVFBKKW-UHFFFAOYAD