Input interpretation
iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid
Chemical names and formulas
| iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid formula | ICH_2CN | CH_3CH(CN)C_6H_4CO_2H Hill formula | C_2H_2IN | C_10H_9NO_2 name | iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid IUPAC name | 2-iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid alternate names | 2-iodoacetonitrile | 2-iodoethanenitrile | acetonitrile, iodo- | cyanoiodomethane | cyanomethyl iodide | (none) mass fractions | C (carbon) 14.4% | H (hydrogen) 1.21% | I (iodine) 76% | N (nitrogen) 8.39% | C (carbon) 68.6% | H (hydrogen) 5.18% | N (nitrogen) 8% | O (oxygen) 18.3%
Structure diagrams
| iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid vertex count | 4 | 13 edge count | 3 | 14 Schultz index | 38 | 995 Wiener index | 10 | 250 Hosoya index | 5 | 364 Balaban index | 1.975 | 2.413
3D structure
3D structure
Basic properties
| iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid molar mass | 166.95 g/mol | 175.19 g/mol phase | liquid (at STP) | solid (at STP) melting point | | 144 °C boiling point | 183 °C | density | 2.307 g/cm^3 | solubility in water | soluble |
Units
Liquid properties
| iodoacetonitrile density | 2.307 g/cm^3 refractive index | 1.574
Units
Chemical identifiers
| iodoacetonitrile | 3-(1-cyanoethyl)benzoic acid CAS number | 624-75-9 | 5537-71-3 Beilstein number | 1734628 | PubChem CID number | 69356 | 98370 PubChem SID number | 24896099 | 24852594 SMILES identifier | C(C#N)I | CC(C#N)C1=CC=CC(=C1)C(=O)O