5-tert-Butyl-2-iodo-1,3-dimethylbenzene supplier

Name
5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE
EINECS 200-158-5
CAS No. 5122-20-3
Article Data4
CAS DataBase
Density 1.367 g/cm³
Solubility
Melting Point 54-57 °C
Formula C₁₂H₁₇I
Boiling Point 272.7 °C at 760 mmHg
Molecular Weight 288.171
Flash Point 121.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Xylene,5-tert-butyl-2-iodo- (7CI,8CI);4-tert-Butyl-2,6-dimethyl-1-iodobenzene;
PSA 0.00000
LogP 4.20550

5-tert-Butyl-2-iodo-1,3-dimethylbenzene 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

Product Name

5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE

5-tert-Butyl-2-iodo-1,3-dimethylbenzene Specification

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