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CAS No.: | 19094-48-5 |
---|---|
Name: | 3,5-Diiodobenzoic acid |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H4I2O2 |
Molecular Weight: | 373.917 |
Synonyms: | 3,5-Diiodobenzoate;NSC 149429; |
Density: | 2.559 g/cm3 |
Melting Point: | >230 °C |
Boiling Point: | 424.2 °C at 760 mmHg |
Flash Point: | 210.4 °C |
Appearance: | gray solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 2.59400 |
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The Benzoic acid,3,5-diiodo-, with the CAS registry number 19094-48-5, is also known as ,5-Diiodobenzoate. It belongs to the product categories of Pharmacetical; Benzoic acid; Acids & Esters; Iodine Compounds. This chemical's molecular formula is C7H4I2O2 and molecular weight is 373.9144. Its IUPAC name is called 3,5-diiodobenzoic acid. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Benzoic acid,3,5-diiodo-: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 5.39; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.97; (7)ACD/KOC (pH 7.4): 2.5; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.741; (12)Molar Refractivity: 58.99 cm3; (13)Molar Volume: 146.1 cm3; (14)Surface Tension: 68.6 dyne/cm; (15)Density: 2.559 g/cm3; (16)Flash Point: 210.4 °C; (17)Enthalpy of Vaporization: 71.55 kJ/mol; (18)Boiling Point: 424.2 °C at 760 mmHg; (19)Vapour Pressure: 5.93E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1I)I)C(=O)O
(2)InChI: InChI=1S/C7H4I2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
(3)InChIKey: FHTJRJBWLBXVPO-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957. |