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Benzaldehyde,2-hydroxy-3,5-diiodo-

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Name

Benzaldehyde,2-hydroxy-3,5-diiodo-

EINECS 220-117-2
CAS No. 2631-77-8 Density 2.602 g/cm3
PSA 37.30000 LogP 2.41390
Solubility Insoluble in water Melting Point 109-110 °C(lit.)
Formula C7H4I2O2 Boiling Point 304.6 °C at 760 mmHg
Molecular Weight 373.917 Flash Point 138 °C
Transport Information N/A Appearance pale yellow powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2631-77-8 (3,5-DIIODOSALICYLALDEHYDE) Hazard Symbols IrritantXi
Synonyms

Salicylaldehyde,3,5-diiodo- (7CI,8CI);2-Hydroxy-3,5-diiodobenzaldehyde;3,5-Diiodo-2-hydroxybenzaldehyde;3,5-Diiodosalicylaldehyde;

Article Data 78

Benzaldehyde,2-hydroxy-3,5-diiodo- Specification

The Benzaldehyde,2-hydroxy-3,5-diiodo-, with the CAS registry number 2631-77-8, is also known as 3,5-Diiodosalicylaldehyde and 3,5-Diiodo-2-hydroxybenzaldehyde. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). Its EINECS registry number is 220-117-2. This chemical's molecular formula is C7H4I2O2 and molecular weight is 373.91. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxy-3,5-diiodobenzaldehyde.It is pale yellow powder.

Physical properties about this chemical are: (1)ACD/LogP: 4.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 674.61; (6)ACD/BCF (pH 7.4): 42.53; (7)ACD/KOC (pH 5.5): 3469.89; (8)ACD/KOC (pH 7.4): 218.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.787; (14)Molar Refractivity: 60.7 cm3; (15)Molar Volume: 143.6 cm3; (16)Polarizability: 24.06×10-24cm3; (17)Surface Tension: 72 dyne/cm; (18)Density: 2.602 g/cm3; (19)Flash Point: 138 °C; (20)Enthalpy of Vaporization: 56.67 kJ/mol; (21)Boiling Point: 304.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000481 mmHg at 25 °C.

Uses of Benzaldehyde,2-hydroxy-3,5-diiodo: it is used to produce other chemicals. For example, it is used to produce 6,8-Diiodo-2-oxo-2H-chromene-3-carboxylic acid ethyl ester.



The reaction occurs with reagents Malonic acid diethyl ester, Piperidine and Acetic acid. The reaction needs solvent Ethanol. The yield is 90 %. This reaction will occur on condition of heating for 24 hours.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C=O)c(O)c(I)c1
(2) InChI: InChI=1/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
(3) InChIKey: MYWSBJKVOUZCIA-UHFFFAOYAH

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