3-Cyanobenzoic acid
Product Description
| Product | 3-Cyanobenzoic acid |
| CAS | 1877-72-1 |
| Formula | C8H5NO2 |
| Synonym | 3-CYANOBENZOIC ACID, EINECS 217-511-1, Benzoic acid, m-cyano-, Benzoic acid, 3-cyano-, UNII-D2GC692D78, 3-CARBOXYBENZONITRILE, m-Carboxybenzonitrile, M-CYANOBENZOIC ACID, 3-Cyano Benzoic Acid m-Cyano Benzoic Acid, ISOPHTHALIC ACID MONONITRILE |
Typical Product Specifications
| Molecular weight | 147.13 |
| EINECS | 217-511-1 |
| SMILES | c1(cc(ccc1)C#N)C(O)=O |
| InChI | 1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) |
| Water solubility | 2310 mg/L |
| log P (octanol-water) | 1.48 |
| Melting Point | 219 ° C |
| Atmospheric OH Rate Constant | 6.47E-13 cm3/molecule-sec |
| pKa Dissociation Constant | 3.6 |
| Vapor Pressure | 2.09E-04 mm Hg |
| Henry's Law Constant | 1.05E-09 atm-m3/mole |
| Storage Temperature | Store at room temperature. |
| Melting Point | 220-224 °C |
| BRN Number | 1862566 |
| Class | Specialty Chemicals |
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