4-Nitrobenzoyl chloride
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4-Nitrobenzoyl chloride
structure -
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CAS No:
122-04-3
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Formula:
C7H4ClNO3
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Chemical Name:
4-Nitrobenzoyl chloride
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Synonyms:
Benzoyl chloride,4-nitro-;Benzoyl chloride,p-nitro-;4-Nitrobenzoyl chloride;p-Nitrobenzoyl chloride;p-Nitrobenzoic acid chloride;4-Nitrobenzoic acid chloride;NSC 5381;4-Nitrobenzenecarboxylic chloride
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CAS No:
Description
yellow needles or powderYellow needles or powder with a pungent odor.
P-nitrobenzoyl chloride appears as yellow needles or powder with a pungent odor. (NTP, 1992)|DryPowder
P-nitrobenzoyl chloride appears as yellow needles or powder with a pungent odor. (NTP, 1992)
4-Nitrobenzoyl chloride Basic Attributes
185.56
185.56
473192
204-517-4
X3H8PW2GC4
5381
1759
DTXSID9025742
29163900
Characteristics
62.89000
2.17
Yellow Flakes or Crystals
1.53
75 °C
155 °C @ Press: 20 Torr
102 °C
1.5890 (estimate)
Decomposes in water;soluble in terahydrofuran, dichloromethane, chloroform and pyridine.
Store below +30°C.
0.00442mmHg at 25°C
Oral-rat LD50: 5600 mg/kg; Oral-Mouse LD50: 3440 mg/kg
Open flame is flammable; high thermal decomposition releases toxic nitrogen oxides and chloride fumes; corrosive gas with water
Unstable in moist surroundings and should be kept in a tightly-closed container. React with water or steam (NTP, 1992).
Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Water-Reactive
P-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].
Safety Information
II
8
UN 3261 8/PG 2
2
34
26-36/37/39-45
DM6651000
C
Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives
Stability Stable, but moisture sensitive. Combustible. Incompatible with water, alcohols, strong oxidizing agents, strong bases.
P280-P305 + P351 + P338-P310
H314
Flash point data are not available for this chemical, but it is combustible. (NTP, 1992)
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 135 companies from 8 notifications to the ECHA C&L Inventory.
Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should protect this material from exposure to air, and store it in a refrigerator. (NTP, 1992)
MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor and high efficiency particulate filter cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)
Drug Information
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: 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. (ERG, 2016)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)
4-nitrobenzoyl chloride
4-Nitrobenzoyl chloride Use and Manufacturing
It can be prepared by p-nitrobenzoic acid as raw material, chlorination with sulfoxide chloride, phosphorus oxychloride or phosgene. P-nitrobenzoic acid and phosphorus oxychloride were heated to reflux for 24h, and phosphorus oxychloride was recovered under reduced pressure to produce p-nitrobenzoyl chloride. Or heat p-nitrobenzoic acid and sulfoxide chloride to 90℃, reflux for 30-40h, and then cool to precipitate p-nitrobenzyl chloride crystals. The yield is 90%. By passing phosgene into molten p-nitrobenzoic acid and distilling the phosgenation reactant under reduced pressure, p-nitrobenzoyl chloride can also be obtained.
4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.
stabilzer
100,000 - 500,000 lb
All other basic organic chemical manufacturing|Benzoyl chloride, 4-nitro-: ACTIVE
Computed Properties
Molecular Weight:185.56
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:184.9879707
Monoisotopic Mass:184.9879707
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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