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CAS No.: | 117832-15-2 |
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Name: | 3,5-DIMETHYL-4-IODOANILINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H10IN |
Molecular Weight: | 247.079 |
Synonyms: | 4-IODO-3,5-DIMETHYLBENZENAMINE;3,5-DIMETHYL-4-IODOANILINE;4-iodo-3,5-dimethylaniline |
Density: | 1.688 g/cm3 |
Melting Point: | 112-113 °C(Solv: methanol (67-56-1); water (7732-18-5)) |
Boiling Point: | 292.8 °C at 760 mmHg |
Flash Point: | 130.9 °C |
PSA: | 26.02000 |
LogP: | 3.07140 |
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The Benzenamine,4-iodo-3,5-dimethyl-, with its CAS registry number 117832-15-2, has the systematic name of 4-iodo-3,5-dimethylaniline. With its molecular foumula of C8H10IN, it has the formula weight of 247.08.
The characteristics of Benzenamine,4-iodo-3,5-dimethyl- are as follows: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 53.04 cm3; (9)Molar Volume: 146.3 cm3; (10)Polarizability: 21.02×10-24cm3; (11)Surface Tension: 47.4 dyne/cm; (12)Density: 1.688 g/cm3; (13)Flash Point: 130.9 °C; (14)Enthalpy of Vaporization: 53.24 kJ/mol; (15)Boiling Point: 292.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00179 mmHg at 25°C.
The chemical could be produced through the following way: 3,5-dimethyl-aniline could react to produce Benzenamine,4-iodo-3,5-dimethyl-. And this reaction needs the reagent of benzyltrimethylammonium dichloroiodate(1-), calcium carbonate and the solvent of CH2Cl2 and methanol. Then this reaction needs half an hour to react in the condition of ambient temperature.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Ic1c(cc(N)cc1C)C
(2)InChI:InChI=1/C8H10IN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
(3)InChIKey:GVLJJTPNZDAXIJ-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C8H10IN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3
(5)Std. InChIKey:GVLJJTPNZDAXIJ-UHFFFAOYSA-N