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p-Nitroacetophenone

p-Nitroacetophenone structure

p-Nitroacetophenone 

structure
  • CAS No:

    100-19-6

  • Formula:

    C8H7NO3

  • Chemical Name:

    p-Nitroacetophenone

  • Synonyms:

    Ethanone,1-(4-nitrophenyl)-;Acetophenone,4′-nitro-;Acetophenone,p-nitro-;1-(4-Nitrophenyl)ethanone;p-Nitrophenyl methyl ketone;p-Nitroacetophenone;4′-Nitroacetophenone;p-Acetylnitrobenzene;Methyl p-nitrophenyl ketone;4-Acetylnitrobenzene;1-Acetyl-4-nitrobenzene;Methyl 4-nitrophenyl ketone;4-Nitrophenyl methyl ketone;NSC 41590;1-(4-Nitrophenyl)ethan-1-one;4-Acetyl-1-nitrobenzene

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

YELLOW CRYSTALLINE POWDERChEBI: A member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group.Yellow prisms or bright yellow powder.


P-nitroacetophenone appears as yellow prisms or bright yellow powder. (NTP, 1992)


P-nitroacetophenone appears as yellow prisms or bright yellow powder. (NTP, 1992)|4-nitroacetophenone is a member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group. It is a C-nitro compound and a member of acetophenones.

p-Nitroacetophenone Basic Attributes

165.15

165.15

607777

202-827-4

4FM2J8HQ27

41590

2811

DTXSID1025724

29147090

Characteristics

62.9

1.5

Yellow Crystalline Powder

1.3450 (rough estimate)

81.8 °C

165 °C

201-202°C

1.5468 (estimate)

Insoluble in water.

Store below +30°C.

0.00511mmHg at 25°C

Insoluble in water.

Ketones

A nitrated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Safety Information

NONH for all modes of transport

3

36-22

22-24/25

AM9627000

Xn

Harmful

Stable under normal temperatures and pressures.

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material can 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: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Drug Information

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

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. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. 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. 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. Be prepared to transport the victim to a hospital if advised by a physician. 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. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

4-nitroacetophenone

p-Nitroacetophenone Use and Manufacturing

Methods of Manufacturing

1. Ethylbenzene is nitrated with mixed acid at 30-35℃ to obtain nitroethylbenzene. After rectification, p-nitroethylbenzene and co-product o-nitroethylbenzene are obtained. P-Nitroethylbenzene is oxidized with air in the presence of catalyst cobalt stearate at 140-150°C and 0.2MPa pressure to obtain p-nitroacetophenone. The reaction product is washed with water, neutralized, centrifuged for dehydration, and dried to obtain a finished product. Raw material consumption quota: ethylbenzene 2519kg/t, nitric acid 1535kg/t, sulfuric acid 697kg/t, hydrochloric acid 12kg/t, soda ash 81kg/t, caustic soda 111kg/t, ethanol 100kg/t, methanol 70kg/t. 2. The p-nitrobenzoyl chloride method.

Uses

Organic synthesis intermediates are raw materials for the manufacture of medicines such as synthromycin and chloramphenicol.

Computed Properties

Molecular Weight:165.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.042593085
Monoisotopic Mass:165.042593085
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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