1877-72-1
3-Cyanobenzoic acid
CAS: 1877-72-1
Molecular Formula: C8H5NO2
1877-72-1 - Names and Identifiers
| Name | 3-Cyanobenzoic acid |
| Synonyms | 3-cyanobenzoate 3-CYANOBENZOIC ACID 3-Cyanobenzoic acid M-CYANOBENZOIC ACID RARECHEM AL BE 0051 m-Cyanobenzoic acid 3-Carboxybenzonitrile 3-CARBOXYBENZONITRILE m-Carboxybenzonitrile Benzoic acid, m-cyano- ISOPHTHALIC ACID MONONITRILE 3-Cyano Benzoic Acid m-Cyano Benzoic Acid |
| CAS | 1877-72-1 |
| EINECS | 217-511-1 |
| InChI | InChI=1/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)/p-1 |
| InChIKey | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
1877-72-1 - Physico-chemical Properties
| Molecular Formula | C8H5NO2 |
| Molar Mass | 147.13 |
| Density | 1.3067 (rough estimate) |
| Melting Point | 220-224 °C (lit.) |
| Boling Point | 267.22°C (rough estimate) |
| Flash Point | 150.1°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 9.9E-05mmHg at 25°C |
| Appearance | White powder |
| Color | White to almost white |
| BRN | 1862566 |
| pKa | 3.60(at 25℃) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4700 (estimate) |
| MDL | MFCD00002486 |
| Use | Used as an intermediate in organic synthesis |
1877-72-1 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S22 - Do not breathe dust. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Class | 6.1 |
| Packing Group | III |
1877-72-1 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Use | Used as an intermediate in organic synthesis |
Last Update：2024-04-10 22:29:15
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