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| CAS No.: | 35674-20-5 |
|---|---|
| Name: | 3,4-Diiodobenzoic acid |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H4I2O2 |
| Molecular Weight: | 373.917 |
| Synonyms: | 3,4-Diiodobenzoicacid; |
| Density: | 2.559 g/cm3 |
| Melting Point: | 257 °C |
| Boiling Point: | 380.698 °C at 760 mmHg |
| Flash Point: | 184.04 °C |
| PSA: | 37.30000 |
| LogP: | 2.59400 |
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4-amino-3-iodobenzoic acid
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; potassium iodide; sodium nitrite | 75% |
- 619-58-9
4-iodobenzoic acid
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium periodate; sulfuric acid; iodine at 25 - 30℃; for 1h; | 67% |
| With sodium iodate; iodine In sulfuric acid at 25 - 30℃; for 1h; | 46% |
- 477534-94-4
3,4-diiodo-benzaldehyde
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| With permanganate(VII) ion |
- 35674-29-4
2-amino-4,5-diiodo-benzoic acid
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| With ethanol; sulfuric acid; sodium nitrite Diazotization; |
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| With potassium iodide |
- 116529-62-5
4-iodo-2-nitro benzoic acid
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: ferrosulfate; ammonia 2: diluted KOH-solution; iodine 3: sulfuric acid; alcohol; sodium nitrite / Diazotization View Scheme |
- 20776-54-9
2-amino-4-iodobenzoic acid
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: diluted KOH-solution; iodine 2: sulfuric acid; alcohol; sodium nitrite / Diazotization View Scheme |
- 101420-88-6
4-iodo-3-nitrobenzaldehyde
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Na2S2O4; water / Diazotieren und Umsetzen mit waessr. Kaliumjodid 2: aqueous permanganate View Scheme |
- 15164-44-0
p-(iodophenyl)carboxaldehyde
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: concentrated sulfuric acid; sodium nitrate / 15 - 20 °C / anschl. Erhitzen auf 70grad 2: Na2S2O4; water / Diazotieren und Umsetzen mit waessr. Kaliumjodid 3: aqueous permanganate View Scheme |
- 150-13-0
4-amino-benzoic acid
- 35674-20-5
3,4-diiodobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium periodate; potassium iodide / water; methanol 2: potassium iodide; sodium nitrite; sulfuric acid View Scheme |
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- Total:27 Page 1 of 1 1
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Specification
The cas register number of 3,4-Diiodobenzoic acid is 35674-20-5. It also can be called as 2-09-00-00241 (Beilstein Handbook Reference) and the Systematic name about this chemical is Benzoic acid, 3,4-diiodo-.
Physical properties about 3,4-Diiodobenzoic acid are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 12.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 65.68; (8)ACD/KOC (pH 7.4): 3.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 58.99 cm3; (15)Molar Volume: 146.1 cm3; (16)Surface Tension: 68.6 dyne/cm; (17)Density: 2.559 g/cm3; (18)Flash Point: 184 °C; (19)Enthalpy of Vaporization: 66.34 kJ/mol; (20)Boiling Point: 380.7 °C at 760 mmHg; (21)Vapour Pressure: 1.78E-06 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Ic1ccc(C(=O)O)cc1I
2.InChI: InChI=1/C7H4I2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
3.InChIKey: DFYULHRIYLAUJM-UHFFFAOYAM
4.Std. InChI: InChI=1S/C7H4I2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 225mg/kg (225mg/kg) | Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957. |