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Cas Database |
| Name |
2-Amino-5-iodobenzonitrile |
EINECS | N/A |
| CAS No. | 132131-24-9 | Density | 1.981 g/cm3 |
| PSA | 49.81000 | LogP | 2.32628 |
| Solubility | N/A | Melting Point |
86℃ (ethanol ) |
| Formula | C7H5IN2 | Boiling Point | 333.622 °C at 760 mmHg |
| Molecular Weight | 244.035 | Flash Point | 155.569 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-AMINO-5-IODOBENZONITRILE |
Article Data | 21 |
2-Amino-5-iodobenzonitrile Synthetic route
- 1885-29-6
anthranilic acid nitrile
- 132131-24-9
5-iodoanthranilonitrile
| Conditions | Yield |
|---|---|
| With K(ICl2) In methanol; water at 20℃; for 2h; | 93% |
| With ammonium iodide; dihydrogen peroxide; acetic acid at 20℃; for 12h; | 92.6% |
| With ammonium iodide; dihydrogen peroxide; acetic acid at 20℃; for 12h; | 92.6% |
| Conditions | Yield |
|---|---|
| In DMF (N,N-dimethyl-formamide) at 20℃; for 18h; | 73% |
- 132131-24-9
5-iodoanthranilonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 20℃; for 12h; |
- 878133-06-3
N-(2,4-diiodo-phenyl)-2,2,2-trifluoro-acetamide
- 132131-24-9
5-iodoanthranilonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: dimethylformamide / 0.5 h / 100 °C 2: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme |
- 533-70-0
2,4-diiodoaniline
- 132131-24-9
5-iodoanthranilonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: dimethylformamide / 0.5 h / 20 °C 2: dimethylformamide / 0.5 h / 100 °C 3: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme |
- 540-37-4
p-aminoiodobenzene
- 132131-24-9
5-iodoanthranilonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: ICl / dimethylformamide / 0.5 h / 20 °C 2: dimethylformamide / 0.5 h / 20 °C 3: dimethylformamide / 0.5 h / 100 °C 4: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme |
- 1885-29-6
anthranilic acid nitrile
A
- 132131-24-9
5-iodoanthranilonitrile
B
- 114344-67-1
3-iodo-2-aminobenzonitrile
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid; potassium iodide In water at 20℃; for 24h; |
| Conditions | Yield |
|---|---|
| In acetic acid at 25 - 35℃; for 3h; |
- 132131-24-9
5-iodoanthranilonitrile
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 903597-10-4
N’-(2-cyano-4-iodophenyl)-N,N-dimethyl formamidine
| Conditions | Yield |
|---|---|
| In N,N-dimethyl acetamide at 110℃; for 2h; Product distribution / selectivity; Heating / reflux; | 100% |
| at 70 - 75℃; for 2h; |
- 132131-24-9
5-iodoanthranilonitrile
- 4637-24-5
N,N-dimethyl-formamide dimethyl acetal
| Conditions | Yield |
|---|---|
| at 120℃; for 2h; | 100% |
| at 90℃; for 1h; | 98% |
| at 90℃; for 1h; | 1.2 g |
2-Amino-5-iodobenzonitrile Specification
The 2-Amino-5-iodobenzonitrile, with the CAS registry number 132131-24-9, is also known as Benzonitrile, 2-amino-5-iodo-. This chemical's molecular formula is C7H5IN2 and molecular weight is 244.03. What's more, its systematic name is 2-Amino-5-iodobenzonitrile.
Physical properties of 2-Amino-5-iodobenzonitrile are: (1)ACD/LogP: 2.867; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.92; (6)ACD/BCF (pH 7.4): 88.92; (7)ACD/KOC (pH 5.5): 864.38; (8)ACD/KOC (pH 7.4): 864.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 47.86 cm3; (15)Molar Volume: 123.198 cm3; (16)Polarizability: 18.973×10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.981 g/cm3; (19)Flash Point: 155.569 °C; (20)Enthalpy of Vaporization: 57.65 kJ/mol; (21)Boiling Point: 333.622 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(I)ccc1N
(2)Std. InChI: InChI=1S/C7H5IN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
(3)Std. InChIKey: PRIOKVMBFXTMRV-UHFFFAOYSA-N
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