-
Name
3-IODOPHTHALIC ACID
- EINECS
- CAS No. 6937-34-4
- Article Data9
- CAS DataBase
- Density 2.138 g/cm3
- Solubility
- Melting Point 232oC
- Formula C8H5IO4
- Boiling Point 426.3 °C at 760 mmHg
- Molecular Weight 292.03
- Flash Point 211.6 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
Xi:Irritant;
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 3-Iodophthalicacid;NSC 42518;3-Iodobenzene-1,2-dicarboxylic acid;
- PSA 74.60000
- LogP 1.68760
1,2-Benzenedicarboxylicacid, 3-iodo- Specification
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
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