Input interpretation
3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate
Chemical names and formulas
| 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate formula | I_2C_6H_2(OH)CO_2H | IC_6H_4NCS Hill formula | C_7H_4I_2O_3 | C_7H_4INS name | 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate IUPAC name | 2-hydroxy-3, 5-diiodobenzoic acid | 1-iodo-2-isothiocyanatobenzene alternate names | 2-hydroxy-3, 5-diiodobenzenecarboxylic acid | 2-hydroxy-3, 5-diiodo-benzoic acid | 2-hydroxy-3, 5-diiodobenzoic acid | 3, 5-diiodo-2-hydroxybenzoic acid | salicylic acid, 3, 5-diiodo- | 1-iodo-2-isothiocyanato-benzene | 1-iodo-2-isothiocyanatobenzene | 2-iodoisothiocyanatobenzene mass fractions | C (carbon) 21.6% | H (hydrogen) 1.03% | I (iodine) 65.1% | O (oxygen) 12.3% | C (carbon) 32.2% | H (hydrogen) 1.54% | I (iodine) 48.6% | N (nitrogen) 5.37% | S (sulfur) 12.3%
Structure diagrams
| 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate vertex count | 12 | 10 edge count | 14 | 10 Schultz index | 738 | 502 Wiener index | 184 | 121 Hosoya index | 194 | 104 Balaban index | 2.596 | 2.251
3D structure
3D structure
Basic properties
| 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate molar mass | 389.91 g/mol | 261.08 g/mol phase | solid (at STP) | solid (at STP) melting point | 225 °C | 37 °C boiling point | 381 °C | 296 °C solubility in water | insoluble |
Units
Hydrophobicity and permeability properties
| 3, 5-diiodosalicylic acid predicted LogP hydrophobicity | 3.13 predicted LogS | -3.4
Thermodynamic properties
| 3, 5-diiodosalicylic acid molar heat of vaporization | 66.4 kJ/mol (kilojoules per mole) specific heat of vaporization | 0.17 kJ/g (kilojoules per gram) molar heat of combustion | 2930 kJ/mol (kilojoules per mole)
Solid properties (at STP)
| 3, 5-diiodosalicylic acid vapor pressure | 2×10^-6 mmHg
Units
Chemical identifiers
| 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate CAS number | 133-91-5 | 98041-44-2 Beilstein number | 2615358 | PubChem CID number | 8631 | 145310 PubChem SID number | 24893385 | 24871185 SMILES identifier | C1=C(C=C(C(=C1I)O)C(=O)O)I | C1=CC=C(C(=C1)N=C=S)I InChI identifier | InChI=1/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2, 10H, (H, 11, 12)/f/h11H | InChI=1/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H InChI key | DHZVWQPHNWDCFS-WXRBYKJCCS | RTECS number | VO2800000 | MDL number | MFCD00002444 | MFCD00041057
NFPA label
NFPA label
| 3, 5-diiodosalicylic acid NFPA health rating | 2 NFPA fire rating | 0 NFPA reactivity rating | 0
Safety properties
| 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate flash point | 184 °C | 110 °C
| 3, 5-diiodosalicylic acid | 2-iodophenyl isothiocyanate DOT numbers | 2811 | 2811