4-Nitrobenzoyl chloride

4-Nitrobenzoyl chloride Basic information

Product Name:	4-Nitrobenzoyl chloride
Synonyms:	4-NITROBENZOYL CHLORIDE;4-NITROBENZOIC ACID CHLORIDE;LABOTEST-BB LT00077260;P-NITROBENZOYL CHLORIDE;NITROBENZOYL-4 CHLORIDE;4-nitro-benzoylchlorid;Benzoyl chloride, 4-nitro-;Benzoyl chloride, p-nitro-
CAS:	122-04-3
MF:	C7H4ClNO3
MW:	185.56
EINECS:	204-517-4
Product Categories:	Acid Halides;Carbonyl Compounds;Derivatization Reagents;Derivatization Reagents HPLC;UV-VIS;Organic Building Blocks;Absolute Configuration Determination (Exciton Chirality CD Method);Amino Group Labeling Reagents for HPLC;Analytical Chemistry;Enantiomer Excess & Absolute Configuration Determination;Exciton Chirality CD Method (for Hydroxyl Groups);HPLC Labeling Reagents;Hydroxyl Group Labeling Reagents for HPLC;UV Detection (HPLC Labeling Reagents)
Mol File:	122-04-3.mol

4-Nitrobenzoyl chloride Chemical Properties

Melting point	71-74 °C (lit.)
Boiling point	202-205 °C/105 mmHg (lit.)
density	1.53
refractive index	1.5890 (estimate)
Fp	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 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	Yes
HazardClass	8
PackingGroup	II
HS Code	29163900
Toxicity	LD50 orally in Rabbit: 5600 mg/kg

MSDS Information

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

4-Nitrobenzoyl chloride Usage And Synthesis

Chemical Properties	yellow needles or powder
Uses	4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.
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.
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

Thionyl chloride-->Phosphorus oxychloride-->p-Nitrobenzoic acid

Preparation Products

4-Nitroacetophenone-->1,3-Dichloro-4-fluorobenzene-->Fipronil-->1,4-Dinitronaphthalene-->4-Benzoyl Acetanilide-->p-Aminobenzamide-->N-(p-Aminobenzoyl)glutamic acid-->Procainamide hydrochloride-->Butethamine-->N-(2-(2-DIETHYLAMINO)ETHYL)-4-NITROBENZAMIDE-->P-NITROBENZOYL-L-GLUTAMIC ACID-->4-FLUORO-4'-NITROBENZOPHENONE-->7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid-->AURINTRICARBOXYLIC ACID-->Otilonium bromide-->4,4'-Diaminobenzanilide-->TRIMETHYLENE BIS(4-AMINOBENZOATE)-->4-AZIDOBENZOIC ACID-->CI 36900-->trisodium [7-[[4-[[4-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-5-sulphophenyl)azo]phenyl]azo]benzoyl]amino]-o-tolyl]azo]-o-tolyl]azo]naphthalene-1,3-disulphonato(5-)]cuprate(3-)

Methylene Chloride 4-(Chloromethyl)benzoyl chloride Pralmorelin 2,3,4,5-Tetrafluorobenzoyl chloride 4-Nitrobenzoyl chloride Diphenolic acid Calcium chloride Sodium chloride 4-tert-Butylbenzoyl chloride Choline chloride 3,5-Dinitrobenzoyl chloride 5-Chlorovaleric acid M-NITROBENZOYL CHLORIDE,3-NITROBENZOYL CHLORIDE,3-NITROBENZOYL CHLORIDE 99+% Ammonium chloride Polyvinyl chloride Ethyl trifluoropyruvate 4-Methoxybenzoyl chloride Potassium chloride

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4-Nitrobenzoyl chloride

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