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Cas Database |
| Name |
4-Iodo-2,6-dimethylaniline |
EINECS | 609-884-8 |
| CAS No. | 4102-53-8 | Density | 1.688 g/cm3 |
| PSA | 26.02000 | LogP | 3.07140 |
| Solubility | N/A | Melting Point |
52-53oC |
| Formula | C8H10IN | Boiling Point | 290.6 °C at 760 mmHg |
| Molecular Weight | 247.079 | Flash Point | 129.6 °C |
| Transport Information | N/A | Appearance | crystals |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6-Xylidine,4-iodo- (6CI,7CI,8CI);2,6-Dimethyl-4-iodoaniline;NSC 128900; |
Article Data | 29 |
4-Iodo-2,6-dimethylaniline Synthetic route
| Conditions | Yield |
|---|---|
| With Iodine monochloride In methanol; dichloromethane at 20℃; | 99% |
| With In(OSO2CF3)3; Iodine monochloride In dichloromethane; acetonitrile at 20℃; for 1h; | 98% |
| With C10H14N4*Cu(1+)*I(1-)*ClI In acetonitrile at 20℃; for 10h; Reagent/catalyst; | 98% |
- 21436-98-6
2,6-dimethylaniline hydrochloride
- 4102-53-8
4-iodo-2,6-dimethylaniline
| Conditions | Yield |
|---|---|
| With iodine; calcium carbonate In water at 60℃; for 0.833333h; | 92% |
- 87-62-7
2,6-dimethylaniline
A
- 4102-53-8
4-iodo-2,6-dimethylaniline
B
- 24596-20-1
4-(2,6-dimethylphenylimino)-2,6-dimethylcyclohexa-2,5-dienone
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium iodine dichloride In methanol; water at 20℃; for 3h; pH=1 - 2; | A 21% B 28% |
- 144991-54-8
1,3-dimethyl-5-iodo-4-nitrobenzene
- 4102-53-8
4-iodo-2,6-dimethylaniline
| Conditions | Yield |
|---|---|
| With ethanol; ammonium chloride; zinc |
- 87-62-7
2,6-dimethylaniline
A
- 24596-18-7
4-chloro-2,6-dimethylaniline
B
- 4102-53-8
4-iodo-2,6-dimethylaniline
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methyl-pyridinium dichloroiodate at 80℃; for 2h; Time; Reagent/catalyst; | A 95 %Chromat. B 98 %Chromat. |
| Conditions | Yield |
|---|---|
| With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane | 100% |
- 4102-53-8
4-iodo-2,6-dimethylaniline
- 1066-54-2
trimethylsilylacetylene
- 926895-24-1
2,6-dimethyl-4-[(trimethylsilyl)ethynyl]aniline
| Conditions | Yield |
|---|---|
| With piperidine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In various solvent(s) at 20℃; for 16h; Sonogashira cross-coupling reaction; | 100% |
| Conditions | Yield |
|---|---|
| With pyridine at 0℃; for 2h; | 95% |
- 4102-53-8
4-iodo-2,6-dimethylaniline
- 762-04-9
phosphonic acid diethyl ester
- 1421533-53-0
diethyl (4-amino-3,5-dimethylphenyl)phosphonate
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); triethylamine In toluene for 12h; Reflux; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; potassium carbonate; ethylene glycol In isopropyl alcohol at 80℃; for 96h; | 88% |
4-Iodo-2,6-dimethylaniline Specification
The Benzenamine,4-iodo-2,6-dimethyl-, with CAS registry number 4102-53-8, belongs to the following product category: Amines. It has the systematic name of 4-iodo-2,6-dimethylaniline. Besides this, it is also called 4-Iod-2,6-dimethylanilin. And the chemical formula of this chemical is C8H10IN.
Physical properties of Benzenamine,4-iodo-2,6-dimethyl-: (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: 129.6 °C; (14)Enthalpy of Vaporization: 53 kJ/mol; (15)Boiling Point: 290.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00204 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(c(N)c(c1)C)C
(2)InChI: InChI=1/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
(3)InChIKey: BJJSUOOEBCCLNY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
(5)Std. InChIKey: BJJSUOOEBCCLNY-UHFFFAOYSA-N
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