4-Nitrobenzoyl chloride Property

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)

NIST Chemistry Reference

4-Nitrobenzoic acid chloride(122-04-3)

EPA Substance Registry System

p-Nitrobenzoyl chloride (122-04-3)

Safety

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

4-Nitrobenzoyl chloride Chemical Properties,Usage,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.]