4-Nitrobenzoyl chloride
- CAS No.
- 122-04-3
- Chemical Name:
- 4-Nitrobenzoyl chloride
- Synonyms
- P-NITROBENZOYL CHLORIDE;PNBC;4-Nitrobenzoyl;SKL748;4-Nitrobenzoyl chlor;p-Nitrobenzoyl chlori;LABOTEST-BB LT00077260;4-nitro-benzoylchlorid;p-nitro-benzoylchlorid;NITROBENZOYL-4 CHLORIDE
- CBNumber:
- CB2182076
- Molecular Formula:
- C7H4ClNO3
- Molecular Weight:
- 185.56
- MDL Number:
- MFCD00007345
- MOL File:
- 122-04-3.mol
- MSDS File:
- SDS
| 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. |
| InChIKey | SKDHHIUENRGTHK-UHFFFAOYSA-N |
| CAS DataBase Reference | 122-04-3(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | X3H8PW2GC4 |
| NIST Chemistry Reference | 4-Nitrobenzoic acid chloride(122-04-3) |
| EPA Substance Registry System | p-Nitrobenzoyl chloride (122-04-3) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS05 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H314 | |||||||||
| Precautionary statements | P280-P305+P351+P338-P310 | |||||||||
| 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 | Yes | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29163900 | |||||||||
| Toxicity | LD50 orally in Rabbit: 5600 mg/kg | |||||||||
| NFPA 704 |
|
4-Nitrobenzoyl chloride Chemical Properties,Uses,Production
Chemical Properties
yellow needles or powder
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.
Uses
4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.
General Description
Yellow needles or powder with a pungent odor.
Air & Water Reactions
Unstable in moist surroundings and should be kept in a tightly-closed container. React with water or steam .
Reactivity Profile
4-Nitrobenzoyl chloride is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Health Hazard
TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire Hazard
Flash point data are not available for 4-Nitrobenzoyl chloride, but 4-Nitrobenzoyl chloride is combustible.
Safety Profile
Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and Cl-. See also NITRO COhlPOUNDS OF AROMATIC HYDROCARBONS and CHLORIDES.
Purification Methods
Crystallise the acid chloride from dry pet ether (b 60-80o), *C6H6 or CCl4. Distil it under vacuum. Irritant. [Adama & Jenkins Org Synth Coll Vol I 394 1941, Beilstein 9 III 1709, 9 IV 1191.]
4-Nitrobenzoyl chloride Preparation Products And Raw materials
Raw materials
Preparation Products
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