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CAS No.: | 6937-34-4 |
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Name: | 3-IODOPHTHALIC ACID |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H5IO4 |
Molecular Weight: | 292.03 |
Synonyms: | 3-Iodophthalicacid;NSC 42518;3-Iodobenzene-1,2-dicarboxylic acid; |
Density: | 2.138 g/cm3 |
Melting Point: | 232oC |
Boiling Point: | 426.3 °C at 760 mmHg |
Flash Point: | 211.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 74.60000 |
LogP: | 1.68760 |
The CAS register number of 1,2-Benzenedicarboxylicacid, 3-iodo- is 6937-34-4. It also can be called as 3-Iodobenzene-1,2-dicarboxylic acid and the IUPAC name about this chemical is 3-iodophthalic acid. The molecular formula about this chemical is C8H5IO4 and the molecular weight is 292.03. It belongs to the following product categories which include Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Carboxylic Acids; Phenyls & Phenyl-Het; Pyrazines, Pyrimidines & Pyridazines and so on.
Physical properties about 1,2-Benzenedicarboxylicacid, 3-iodo- are: (1)ACD/LogP: 1.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 52.6Å2; (10)Index of Refraction: 1.704; (11)Molar Refractivity: 53.01 cm3; (12)Molar Volume: 136.5 cm3; (13)Polarizability: 21.01x10-24cm3; (14)Surface Tension: 78.9 dyne/cm; (15)Enthalpy of Vaporization: 71.8 kJ/mol; (16)Boiling Point: 426.3 °C at 760 mmHg; (17)Vapour Pressure: 5.01E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1I)C(=O)O
(2)InChI: InChI=1/C8H5IO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: HNPVERUJGFNNRV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H5IO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: HNPVERUJGFNNRV-UHFFFAOYSA-N