HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-4'-chlorobenzophenone
C13H10ClNO · (2-Aminophenyl) · 2-Amino-4'-chlorobenzophenone · 2-Amino-4'-chlorobenzophenone >2-AMINO-4''-CHLOROBENZOPHENONE 96+% · 2-Amino-4'-chlorobenzophenone, 98.5% · 2-AMino-4'-chlorobenzophenone, 98.0%(GC&T · (2-azanylphenyl)-(4-chlorophenyl)methanone · CAS2894-51-1 2-Amino-4'-chlorobenzophenone
Identifiers & Physical Properties
| CAS No. | 2894-51-1 |
|---|---|
| Molecular formula | C13H10ClNO |
| Average molar mass | 231.68 g/mol |
| Monoisotopic mass | 231.04509162 g/mol |
| SMILES | Nc1ccccc1C(=O)c1ccc(Cl)cc1 |
| InChIKey | APHLSUBLNQBFTM-UHFFFAOYSA-N |
| PubChem CID | 76166 |
| EC No. | 220-770-3 |
| DTXSID | DTXSID2022200 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 43.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 248 |
| Melting point | 103°C |
| Boiling point | 419.8±30.0 °C(Predicted) |
| Density | 1.274±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | soluble in Chloroform |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | -0.35±0.10(Predicted) |
| Color | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C13H10ClNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2 |
| InChIKey | APHLSUBLNQBFTM-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1N)(C1=CC=C(Cl)C=C1)=O |
| CAS DataBase Reference | 2894-51-1(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Risk statements (R) | 36/37/38-36 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | UN3077 |
| RTECS number | XZ1900000 |
| Hazard class | 9 |
| Customs code | 29223990 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | WarningH317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (97.5%) |
| RTECS number | XZ1900000 |
| UN transport number | UN3077 |
| Customs code | 29223990 |
| Risk statements (R) | 36/37/38-36 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | 9 |
| GHS hazard statements | H315-H319 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
2-Amino-4-chlorobenzophenone is used in the synthesis of antiplasmodial agents.