3,4-Diiodobenzoic acid supplier

Name
3,4-Diiodobenzoic acid
EINECS
CAS No. 35674-20-5
Article Data6
CAS DataBase
Density 2.559 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Diiodobenzoicacid;
PSA 37.30000
LogP 2.59400

Synthetic route

: 2122-63-6
4-amino-3-iodobenzoic acid

: 35674-20-5
3,4-diiodobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; potassium iodide; sodium nitrite	75%

: 619-58-9
4-iodobenzoic acid

: 35674-20-5
3,4-diiodobenzoic acid

Conditions

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

Conditions	Yield
With permanganate(VII) ion

: 35674-29-4
2-amino-4,5-diiodo-benzoic acid

: 35674-20-5
3,4-diiodobenzoic acid

Conditions

Conditions	Yield
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

Conditions	Yield
With potassium iodide

: 116529-62-5
4-iodo-2-nitro benzoic acid

: 35674-20-5
3,4-diiodobenzoic acid

Conditions

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

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

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

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

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

: 112-35-6
triethylene glucol monomethyl ether

: 35674-20-5
3,4-diiodobenzoic acid

: 1071750-65-6
C14H18I2O5

Conditions

Conditions	Yield
Stage #1: 3,4-diiodobenzoic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 1h; Stage #2: triethylene glucol monomethyl ether In dichloromethane at 0 - 20℃;	81%

: 35674-20-5
3,4-diiodobenzoic acid

: 1418218-67-3
C7H6I2O

Conditions

Conditions	Yield
With dimethyl sulfide borane In tetrahydrofuran	80%

: 35674-20-5
3,4-diiodobenzoic acid

: 102014-49-3
3,4-diiodo-benzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride

: 35674-20-5
3,4-diiodobenzoic acid

A: C16H20INO3

B: C16H20INO3

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: dimethyl sulfide borane / tetrahydrofuran 2: dichloromethane / 0.5 h 3: sodium azide / N,N-dimethyl-formamide / 20 °C 4: triphenylphosphine / water; tetrahydrofuran 5: chloroform / 20 °C 6: tetrakis(triphenylphosphine) palladium(0); triethylamine; copper(l) iodide / 3 h View Scheme

: 35674-20-5
3,4-diiodobenzoic acid

: 1418218-93-5
C24H31NO5

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: dimethyl sulfide borane / tetrahydrofuran 2: dichloromethane / 0.5 h 3: sodium azide / N,N-dimethyl-formamide / 20 °C 4: triphenylphosphine / water; tetrahydrofuran 5: chloroform / 20 °C 6: tetrakis(triphenylphosphine) palladium(0); triethylamine; copper(l) iodide / 3 h 7: tetrakis(triphenylphosphine) palladium(0); triethylamine; copper(l) iodide View Scheme

: 35674-20-5
3,4-diiodobenzoic acid

: 1418218-68-4
C8H8I2O3S

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethyl sulfide borane / tetrahydrofuran 2: dichloromethane / 0.5 h View Scheme

: 35674-20-5
3,4-diiodobenzoic acid

: C7H5I2N3

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dimethyl sulfide borane / tetrahydrofuran 2: dichloromethane / 0.5 h 3: sodium azide / N,N-dimethyl-formamide / 20 °C View Scheme

: 35674-20-5
3,4-diiodobenzoic acid

: 4-aminomethyl-1,2-diiodobenzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: dimethyl sulfide borane / tetrahydrofuran 2: dichloromethane / 0.5 h 3: sodium azide / N,N-dimethyl-formamide / 20 °C 4: triphenylphosphine / water; tetrahydrofuran View Scheme

: 35674-20-5
3,4-diiodobenzoic acid

: C12H15I2NO2

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: dimethyl sulfide borane / tetrahydrofuran 2: dichloromethane / 0.5 h 3: sodium azide / N,N-dimethyl-formamide / 20 °C 4: triphenylphosphine / water; tetrahydrofuran 5: chloroform / 20 °C 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.

Product Name

3,4-Diiodobenzoic acid

Synthetic route

3,4-Diiodobenzoic acid Specification

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