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3,4-Diiodobenzoic acid

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Name

3,4-Diiodobenzoic acid

EINECS N/A
CAS No. 35674-20-5 Density 2.559 g/cm3
PSA 37.30000 LogP 2.59400
Solubility N/A Melting Point 257 °C
Formula C7H4I2O2 Boiling Point 380.698 °C at 760 mmHg
Molecular Weight 373.917 Flash Point 184.04 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35674-20-5 (3,4-Diiodobenzoic acid) Hazard Symbols N/A
Synonyms

3,4-Diiodobenzoicacid;

Article Data 6

3,4-Diiodobenzoic acid Synthetic route

2122-63-6

4-amino-3-iodobenzoic acid

35674-20-5

3,4-diiodobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; potassium iodide; sodium nitrite75%
619-58-9

4-iodobenzoic acid

35674-20-5

3,4-diiodobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
With permanganate(VII) ion
35674-29-4

2-amino-4,5-diiodo-benzoic acid

35674-20-5

3,4-diiodobenzoic acid

Conditions
ConditionsYield
With ethanol; sulfuric acid; sodium nitrite Diazotization;
diazotized 3-iodo-4-amino-benzoic acid

diazotized 3-iodo-4-amino-benzoic acid

35674-20-5

3,4-diiodobenzoic acid

Conditions
ConditionsYield
With potassium iodide
116529-62-5

4-iodo-2-nitro benzoic acid

35674-20-5

3,4-diiodobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
Multi-step reaction with 2 steps
1: sodium periodate; potassium iodide / water; methanol
2: potassium iodide; sodium nitrite; sulfuric acid
View Scheme

3,4-Diiodobenzoic acid 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.

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