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

4-Nitrobenzoyl chloride

4-Nitrobenzoyl chloride Basic information
Product Name:4-Nitrobenzoyl chloride
Synonyms:4-NITROBENZOYL CHLORIDE;4-NITROBENZOIC ACID CHLORIDE;LABOTEST-BB LT00077260;NITROBENZOYL-4 CHLORIDE;4-nitro-benzoylchlorid;Benzoyl chloride, 4-nitro-;Benzoyl chloride, p-nitro-;Benzoylchloride,4-nitro-
CAS:122-04-3
MF:C7H4ClNO3
MW:185.56
EINECS:204-517-4
Product Categories:Acid Halides;Carbonyl Compounds;Organic Building Blocks;Derivatization Reagents;Derivatization Reagents HPLC;UV-VIS;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 Structure
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
Odorpungent 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.
InChIKeySKDHHIUENRGTHK-UHFFFAOYSA-N
CAS DataBase Reference122-04-3(CAS DataBase Reference)
NIST Chemistry Reference4-Nitrobenzoic acid chloride(122-04-3)
EPA Substance Registry Systemp-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
ToxicityLD50 orally in Rabbit: 5600 mg/kg
MSDS Information
ProviderLanguage
4-Nitrobenzoic acid chloride English
SigmaAldrich English
ACROS English
ALFA English
4-Nitrobenzoyl chloride Usage And Synthesis
Chemical Propertiesyellow needles or powder
Uses4-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.
Uses4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.
General DescriptionYellow needles or powder with a pungent odor.
Air & Water ReactionsUnstable in moist surroundings and should be kept in a tightly-closed container. React with water or steam .
Reactivity Profile4-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 HazardTOXIC; 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 HazardFlash point data are not available for 4-Nitrobenzoyl chloride, but 4-Nitrobenzoyl chloride is combustible.
Safety ProfileModerately 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 MethodsCrystallise 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.]
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