ai3-01031
Benzamide
CAS: 55-21-0
Molecular Formula: C7H7NO
ai3-01031 - Names and Identifiers
| Name | Benzamide |
| Synonyms | ai3-01031 Benzamide Carbonamide BENZOYLAMIDE Benzoic amide phenylcarboxamide BENZOIC ACID AMIDE Phenylcarboxyamide benzenecarboxamide amidkyselinybenzoove amidkyselinybenzoove(czech) |
| CAS | 55-21-0 |
| EINECS | 200-227-7 |
| InChI | InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) |
ai3-01031 - Physico-chemical Properties
| Molecular Formula | C7H7NO |
| Molar Mass | 121.14 |
| Density | 1.341 |
| Melting Point | 125-128 °C (lit.) |
| Boling Point | 228°C |
| Flash Point | 180°C |
| Water Solubility | 1.35 g/100 mL (20 ºC) |
| Solubility | Soluble in ethanol |
| Vapor Presure | 0.000056 hPa (20 °C) |
| Appearance | Colorless crystal |
| Color | White to almost white |
| Merck | 14,1060 |
| BRN | 385876 |
| pKa | 13.0(at 25℃) |
| PH | 6.9 (H2O)(saturated solution) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5323 (estimate) |
| MDL | MFCD00007968 |
| Physical and Chemical Properties | Density 1.341 melting point 125-129°C boiling point 228°C flash point 180°C water-soluble 1.35g/100 mL (20°C) |
| Use | For the synthesis of medicines, dyes, etc |
| In vitro study | Benzamide has a protective effect on primary neurons extracted from the brain of neonatal rats against cell death induced by excitatory amino acids. In addition, it is able to prevent the loss of dopaminergic cells and increase the reactive gliosis caused by METH in fetal rat midbrain cells in vitro. Benzamides prevent cell transformation in a cell cycle-specific manner. |
| In vivo study | Benzamide, an inhibitor of PARP, is neuroprotective in C57Bl/6N mice against various types of neurotoxicity, without affecting their body temperature. Its treatment can significantly reduce the expression of iNOS and the number of apoptotic neurons, thus promoting the survival and memory of neuronal cells in GCI. Intraperitoneal injection of 160 mg/kg of benzamide did not induce hypothermia and reached the central nervous system within 30 minutes at concentrations ranging from 0.09 mM to 0.64 mM, providing neuroprotection. |
ai3-01031 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R68 - Possible risk of irreversible effects |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37 - Wear suitable protective clothing and gloves. |
| WGK Germany | 1 |
| RTECS | CU8700000 |
| TSCA | Yes |
| HS Code | 29242995 |
| Toxicity | LD50 orally in Rabbit: 1125 mg/kg |
ai3-01031 - Reference Information
| pH indicator color change ph range | 6.9 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | Benzamide is used as a cosolvent in pharmaceuticals, which can increase the solubility of drugs such as tetracycline hydrochloride in water. It is an important intermediate compound, which is widely used in dye, medicine and pesticide industries. Its light stability is extremely strong. Once it enters the environment, it is extremely difficult to degrade and has chronic toxicity to the human body. |
| biological activity | benzamide, an inhibitor of PARP, IC50 is 3.3 μM. It is a derivative of benzoic acid. |
| Target | Value |
| PARP (Cell-free assay) | 3.3 μM |
| Production method | It is obtained by the reaction of benzoyl chloride and ammonia. First, ammonium carbonate and ammonia water with relative density below 0.905 are added into the glass-lined reaction pot, stirred, and benzoyl chloride is added dropwise below 40 ℃. After adding, stir for 30min until there is no smell of benzoyl chloride. The crude product is filtered, washed with water, and recrystallized with distilled water to obtain the finished product. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | abdominal cavity-rat LD50: 781 mg/kg; Oral administration-mouse LD50: 1160 mg/kg |
| flammability hazard characteristics | solvent flammable |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| spontaneous combustion temperature | >500°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:09
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