LABOTEST-BB LT00259286
2-Amino-5-chlorobenzophenone
CAS: 719-59-5
Molecular Formula: C13H10ClNO
LABOTEST-BB LT00259286 - Names and Identifiers
| Name | 2-Amino-5-chlorobenzophenone |
| Synonyms | ACB IFLAB-BB F1386-0355 LABOTEST-BB LT00259286 4-CHLORO-2-BENZOYLANILINE 2-Amino-5-chlorobenophenone 2-AMINO-5-CHLOROBENZOPHENONE 2-Amino-5-chlorobenzophenone 5-CHLORO-2-AMINOBENZOPHENONE 5-Chloro-2-aminobenzophenone 2-Amino-5-chloro benzophenone (2-Amino-5-chlorophenyl)phenyl-methanone (2-AMINO-5-CHLOROPHENYL)(PHENYL)METHANONE |
| CAS | 719-59-5 |
| EINECS | 211-949-7 |
| InChI | InChI=1/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2 |
| InChIKey | ZUWXHHBROGLWNH-UHFFFAOYSA-N |
LABOTEST-BB LT00259286 - Physico-chemical Properties
| Molecular Formula | C13H10ClNO |
| Molar Mass | 231.68 |
| Density | 1.33 |
| Melting Point | 96-98 °C (lit.) |
| Boling Point | 207 °C |
| Flash Point | 211 °C |
| Solubility | Solubility in methanol gives very faint turbidity. Soluble in DMSO. |
| Vapor Presure | 0-1Pa at 20-25℃ |
| Appearance | Yellow powder |
| Color | Yellow |
| BRN | 475640 |
| pKa | 0.06±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.6000 (estimate) |
| MDL | MFCD00007839 |
| Physical and Chemical Properties | Yellow or bright yellow needle-like crystals |
| Use | Pharmaceutical intermediates. Production of drugs such as Diazepam and Diazepam. |
LABOTEST-BB LT00259286 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed 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. |
| WGK Germany | 3 |
| RTECS | PC4933500 |
| TSCA | Yes |
| HS Code | 29223900 |
| Toxicity | LD50 orally in Rabbit: 10000 mg/kg |
LABOTEST-BB LT00259286 - Introduction
Insoluble in water.
Last Update：2022-10-16 17:28:08
LABOTEST-BB LT00259286 - Reference Information
| LogP | 3.16 at 21℃ and pH7 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | pharmaceutical intermediates. Production of limianan, diazepam and other drugs. used as pharmaceutical intermediates, mainly for the preparation of chlordiazepoxide, diazepam, Sule diazepam and other sedative drugs |
| production method | (1) is obtained by reacting p-chloroaniline with benzoyl chloride. First, add P-chlorobenzene to the glass lining reaction pot, add anhydrous zinc chloride below 70 ℃, add benzoyl chloride Dropwise under stirring, and then raise the temperature, keep the temperature at 195-205 ℃ for 2H, it is washed five times with hot water of 90-95 ℃ (benzoic acid and zinc chloride are recovered from the water layer and the washing liquid) at about 100 ℃, sulfuric acid is slowly added, and the temperature is kept at 142 ℃ for 40min. The feed solution was poured into water at 0-5 °c while hot to precipitate a solid. Under stirring, the pH was adjusted to not higher than 1 with liquid alkali and filtered at 20-25 °c. P-chloroaniline was recovered from the filtrate. The filter cake was suspended in water, neutralized to pH = 6, dried by filtration, washed with water until neutral, and dried to obtain a crude product. Then add 6-7 times ethanol, 6% activated carbon, reflux 30min, filter crystallization, drying and get fine. (2) isoxazole is obtained by the synthesis of p-nitrochlorobenzene and cyanobenzyl, followed by ring opening and reduction. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | intraperitoneal-mouse LD50:681 mg/kg |
| flammability hazard characteristics | flammability; Toxic NOx and chloride fumes from combustion |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-09 20:49:11
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