A6161712
4-Nitrobenzoyl chloride , 98% , 122-04-3
Synonym(s):
4-Nitrobenzoic acid chloride;4-Nitrobenzoyl chloride
CAS NO.：122-04-3
Empirical Formula: C7H4ClNO3
Molecular Weight: 185.56
MDL number: MFCD00007345
EINECS: 204-517-4
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 71-74 °C (lit.) |
| Boiling point: | 202-205 °C/105 mmHg (lit.) |
| Density | 1.53 |
| refractive index | 1.5890 (estimate) |
| Flash point: | 102 °C |
| storage temp. | Store below +30°C. |
| solubility | Soluble in terahydrofuran, dichloromethane, chloroform and pyridine. |
| form | Flakes or Crystals |
| color | Yellow |
| Odor | pungent odor |
| Water Solubility | Decomposes |
| Sensitive | Moisture Sensitive |
| Merck | 14,6589 |
| BRN | 473192 |
| Stability: | Stable, but moisture sensitive. Combustible. Incompatible with water, alcohols, strong oxidizing agents, strong bases. |
| InChI | 1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H |
| InChIKey | SKDHHIUENRGTHK-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)C(Cl)=O |
| CAS DataBase Reference | 122-04-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Nitrobenzoic acid chloride(122-04-3) |
| EPA Substance Registry System | p-Nitrobenzoyl chloride (122-04-3) |
Description and Uses
4-Nitrobenzoyl chloride is used in the preparation of polysubstituted furanonaphthoquinoines. It is also involved in Michael addition, Henry reaction, O-alkylation and cycloaddition reactions. Further, it is employed as an intermediate in active pharmaceutical ingredient and dyes.
Safety
| Symbol(GHS) |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280-P305+P351+P338-P310 |
| PPE | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 2 |
| RTECS | DM6651000 |
| F | 9-19-21 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29163900 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Eye Dam. 1 Met. Corr. 1 Skin Corr. 1B |
| Toxicity | LD50 orally in Rabbit: 5600 mg/kg |
| REACH Registrations | Active |
| Limited Quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
