ChemicalBook Product Catalog Organic Chemistry Hydrocarbons and derivatives Hydrocarbon nitrification 4-Nitrobenzoyl chloride

4-Nitrobenzoyl chloride

Product Name4-Nitrobenzoyl chloride
CAS122-04-3
MFC7H4ClNO3
MW185.56
EINECS204-517-4
MOL File122-04-3.mol

Chemical 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)

Safety Information

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

MSDS

Provider	Language
4-Nitrobenzoic acid chloride	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

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

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

4-Nitrobenzoyl chloride Supplier

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